(8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

C28H45N5 — CID 143187045

IUPAC(8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC=CC1=C(CC)N(C[C@H]2CCCN(C(C)CC)C2)C(CN(C)[C@@H]2CCCc3cccnc32)N1
InChIInChI=1S/C28H45N5/c1-6-21(4)32-17-11-12-22(18-32)19-33-25(8-3)24(7-2)30-27(33)20-31(5)26-15-9-13-23-14-10-16-29-28(23)26/h7,10,14,16,21-22,26-27,30H,2,6,8-9,11-13,15,17-20H2,1,3-5H3/t21?,22-,26+,27?/m0/s1
InChIKeyHNCLDJCXPXKDFU-MZAKESMSSA-N
MW451.70 g/mol
LogP4.94
Rot. Bonds9

About (8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

(8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 143187045) has the molecular formula C28H45N5 and a molecular weight of 451.70 g/mol. Its IUPAC name is (8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID143187045
Molecular FormulaC28H45N5
Molecular Weight451.70 g/mol
Exact Mass451.37
IUPAC Name(8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESC=CC1=C(CC)N(C[C@H]2CCCN(C(C)CC)C2)C(CN(C)[C@@H]2CCCc3cccnc32)N1
InChIInChI=1S/C28H45N5/c1-6-21(4)32-17-11-12-22(18-32)19-33-25(8-3)24(7-2)30-27(33)20-31(5)26-15-9-13-23-14-10-16-29-28(23)26/h7,10,14,16,21-22,26-27,30H,2,6,8-9,11-13,15,17-20H2,1,3-5H3/t21?,22-,26+,27?/m0/s1
InChIKeyHNCLDJCXPXKDFU-MZAKESMSSA-N
XLogP4.94
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.70
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

(8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 149338189
N-methyl-N-[[1-[[(3S)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525984
(8S)-N-[[1-[[(3S)-1-[(2S)-2-(dimethylamino)pentyl]piperidin-3-yl]methyl]-4,5-bis(ethenyl)imidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 143186985
N-methyl-N-[[1-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525963
N-methyl-N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 59176406
methyl 2-[(3S)-3-[[4,5-bis(ethenyl)-2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]imidazol-1-yl]methyl]piperidin-1-yl]-N-ethenylethanimidothioate
CID 143187053
N-methyl-N-[[4-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]piperazin-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 153453220
N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545594
N-(2-methylpropyl)-N-(piperidin-4-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 120853623
N-methyl-N-[[(3R)-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 146398708
N-methyl-N-[[1-[2-(methylaminomethyl)butyl]-4,5-dihydroimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 143187075
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718

Frequently Asked Questions

What is the IUPAC name of (8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 143187045) is (8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is C=CC1=C(CC)N(C[C@H]2CCCN(C(C)CC)C2)C(CN(C)[C@@H]2CCCc3cccnc32)N1.
What is the InChIKey of (8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is HNCLDJCXPXKDFU-MZAKESMSSA-N. The full InChI is InChI=1S/C28H45N5/c1-6-21(4)32-17-11-12-22(18-32)19-33-25(8-3)24(7-2)30-27(33)20-31(5)26-15-9-13-23-14-10-16-29-28(23)26/h7,10,14,16,21-22,26-27,30H,2,6,8-9,11-13,15,17-20H2,1,3-5H3/t21?,22-,26+,27?/m0/s1.
What are the key properties of (8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?
(8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 451.70 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-[[3-[[(3S)-1-butan-2-ylpiperidin-3-yl]methyl]-5-ethenyl-4-ethyl-1,2-dihydroimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 143187045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).