4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine

C21H29N3 — CID 69165124

IUPAC4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine
SMILESCCc1ccc(-c2ccncc2)cc1CNC1CCC(NC)CC1
InChIInChI=1S/C21H29N3/c1-3-16-4-5-18(17-10-12-23-13-11-17)14-19(16)15-24-21-8-6-20(22-2)7-9-21/h4-5,10-14,20-22,24H,3,6-9,15H2,1-2H3
InChIKeyLSGNXAWKXLNJIB-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.93
Rot. Bonds6

About 4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine

4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine (PubChem CID 69165124) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine
PubChem CID69165124
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Name4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine
SMILESCCc1ccc(-c2ccncc2)cc1CNC1CCC(NC)CC1
InChIInChI=1S/C21H29N3/c1-3-16-4-5-18(17-10-12-23-13-11-17)14-19(16)15-24-21-8-6-20(22-2)7-9-21/h4-5,10-14,20-22,24H,3,6-9,15H2,1-2H3
InChIKeyLSGNXAWKXLNJIB-UHFFFAOYSA-N
XLogP3.93
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-fluoro-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]ethanone
CID 69166555
4-N-[(2-ethoxy-5-phenylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine;hydrochloride
CID 69165248
N-[[2-fluoro-5-(4-propylphenyl)phenyl]methyl]cyclopropanamine
CID 63424721
tert-butyl N-methyl-N-[4-[(2-methyl-5-pyridin-4-ylphenyl)methylamino]cyclohexyl]carbamate
CID 59683602
4-N-[[5-(2-aminopyrimidin-5-yl)-2-ethoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine
CID 69165750
N-[(4-chloro-2-pyridin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 114865036
4-N-[[5-(2-aminopyrimidin-5-yl)-2-ethoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine;dihydrochloride
CID 69165749
N-[[5-(4-chlorophenyl)-2-methoxyphenyl]methyl]cyclopropanamine
CID 61025295
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine
CID 54911922
4-N-[[5-[2-(dimethylamino)pyrimidin-5-yl]-2-ethoxyphenyl]methyl]-1-N-methylcyclohexane-1,4-diamine
CID 69165488
[4-[4-methoxy-3-[[[4-(methylamino)cyclohexyl]amino]methyl]phenyl]phenyl]methanol;hydrochloride
CID 69166582
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63424844

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine (CID 69165124) is 4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine is CCc1ccc(-c2ccncc2)cc1CNC1CCC(NC)CC1.
What is the InChIKey of 4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine?
The InChIKey is LSGNXAWKXLNJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-3-16-4-5-18(17-10-12-23-13-11-17)14-19(16)15-24-21-8-6-20(22-2)7-9-21/h4-5,10-14,20-22,24H,3,6-9,15H2,1-2H3.
What are the key properties of 4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine?
4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 323.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-ethyl-5-pyridin-4-ylphenyl)methyl]-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 69165124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).