(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

C24H30N4O — CID 155486146

IUPAC(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCC[C@@H]2N(CCC1CCCCO1)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C24H30N4O/c1-2-11-21-20(10-1)26-23(27-21)17-28(15-13-19-9-3-4-16-29-19)22-12-5-7-18-8-6-14-25-24(18)22/h1-2,6,8,10-11,14,19,22H,3-5,7,9,12-13,15-17H2,(H,26,27)/t19?,22-/m0/s1
InChIKeyHKSYTRNYEWYQDJ-BPARTEKVSA-N
MW390.53 g/mol
LogP4.80
Rot. Bonds6

About (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine

(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 155486146) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID155486146
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESc1cnc2c(c1)CCC[C@@H]2N(CCC1CCCCO1)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C24H30N4O/c1-2-11-21-20(10-1)26-23(27-21)17-28(15-13-19-9-3-4-16-29-19)22-12-5-7-18-8-6-14-25-24(18)22/h1-2,6,8,10-11,14,19,22H,3-5,7,9,12-13,15-17H2,(H,26,27)/t19?,22-/m0/s1
InChIKeyHKSYTRNYEWYQDJ-BPARTEKVSA-N
XLogP4.80
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 20747305
N'-(1H-benzimidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;trihydrochloride
CID 138756132
(Z)-N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamine
CID 59694180
N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 167559113
N-(1H-benzimidazol-2-ylmethyl)-N-[3-(1H-pyrrol-2-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 161376740
N-(1H-benzimidazol-2-ylmethyl)-N-(2-trimethylsilylethoxymethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 69207401
N'-(1H-benzimidazol-2-ylmethyl)-2-cyclopropyl-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 69177603
N-(1H-benzimidazol-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
CID 139988569
N-[[3-(aminomethyl)pyrazin-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53324533
N-(1H-benzimidazol-2-ylmethyl)-N-[3-(2,3-dihydro-1H-imidazol-4-yl)propyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 126714291
3-[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]propylurea
CID 59694175
N'-(1H-benzimidazol-2-ylmethyl)-N-(pyrimidin-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine;methane
CID 157089610

Frequently Asked Questions

What is the IUPAC name of (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 155486146) is (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is c1cnc2c(c1)CCC[C@@H]2N(CCC1CCCCO1)Cc1nc2ccccc2[nH]1.
What is the InChIKey of (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is HKSYTRNYEWYQDJ-BPARTEKVSA-N. The full InChI is InChI=1S/C24H30N4O/c1-2-11-21-20(10-1)26-23(27-21)17-28(15-13-19-9-3-4-16-29-19)22-12-5-7-18-8-6-14-25-24(18)22/h1-2,6,8,10-11,14,19,22H,3-5,7,9,12-13,15-17H2,(H,26,27)/t19?,22-/m0/s1.
What are the key properties of (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 390.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-N-(1H-benzimidazol-2-ylmethyl)-N-[2-(oxan-2-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 155486146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).