2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine

C25H32N4 — CID 176649647

IUPAC2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine
SMILESCCN(Cc1cccc(C)n1)C1CCCCC1Nc1cccc2ccc(C)nc12
InChIInChI=1S/C25H32N4/c1-4-29(17-21-11-7-9-18(2)26-21)24-14-6-5-12-22(24)28-23-13-8-10-20-16-15-19(3)27-25(20)23/h7-11,13,15-16,22,24,28H,4-6,12,14,17H2,1-3H3
InChIKeyOCQYOPVYHPYCLX-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.49
Rot. Bonds6

About 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine

2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine (PubChem CID 176649647) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine
PubChem CID176649647
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC Name2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine
SMILESCCN(Cc1cccc(C)n1)C1CCCCC1Nc1cccc2ccc(C)nc12
InChIInChI=1S/C25H32N4/c1-4-29(17-21-11-7-9-18(2)26-21)24-14-6-5-12-22(24)28-23-13-8-10-20-16-15-19(3)27-25(20)23/h7-11,13,15-16,22,24,28H,4-6,12,14,17H2,1-3H3
InChIKeyOCQYOPVYHPYCLX-UHFFFAOYSA-N
XLogP5.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine with MolForge

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Related Compounds

N-ethyl-2-(methylaminomethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 81004723
2-(aminomethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 81004724
N-(4-ethylcyclohexyl)-2-methylquinolin-8-amine
CID 63477053
N-(2,5-dimethylcyclohexyl)-2-methylquinolin-8-amine
CID 64762321
N-ethyl-2-[(2-methylpropylamino)methyl]-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 81000122
N-(2,2-dimethyl-1,3-dioxan-5-yl)-2-methylquinolin-8-amine
CID 106658761
N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine
CID 82760340
2-methyl-N-(thian-4-yl)quinolin-8-amine
CID 62953597
2-methyl-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine
CID 79911060
2-methyl-N-piperidin-3-ylquinolin-8-amine
CID 62953939
2-[[(1S,2S)-2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]cyclohexyl]-[(6-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 154815678
N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropanamine
CID 79260720

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine (CID 176649647) is 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine is CCN(Cc1cccc(C)n1)C1CCCCC1Nc1cccc2ccc(C)nc12.
What is the InChIKey of 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine?
The InChIKey is OCQYOPVYHPYCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4/c1-4-29(17-21-11-7-9-18(2)26-21)24-14-6-5-12-22(24)28-23-13-8-10-20-16-15-19(3)27-25(20)23/h7-11,13,15-16,22,24,28H,4-6,12,14,17H2,1-3H3.
What are the key properties of 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine?
2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine has a molecular weight of 388.56 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1-N-(2-methylquinolin-8-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 176649647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).