4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde

C24H34ClN5O — CID 143705811

IUPAC4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde
SMILESCNC1CCC(CN)(c2cccc(Cl)c2)CC1.[H]/N=C/c1cc(C=O)cnc1NC(C)C
InChIInChI=1S/C14H21ClN2.C10H13N3O/c1-17-13-5-7-14(10-16,8-6-13)11-3-2-4-12(15)9-11;1-7(2)13-10-9(4-11)3-8(6-14)5-12-10/h2-4,9,13,17H,5-8,10,16H2,1H3;3-7,11H,1-2H3,(H,12,13)/b;11-4+
InChIKeyMYRZLCGPZDSKNX-ANTNIJRQSA-N
MW444.02 g/mol
LogP4.41
Rot. Bonds7

About 4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde

4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde (PubChem CID 143705811) has the molecular formula C24H34ClN5O and a molecular weight of 444.02 g/mol. Its IUPAC name is 4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde
PubChem CID143705811
Molecular FormulaC24H34ClN5O
Molecular Weight444.02 g/mol
Exact Mass443.25
IUPAC Name4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde
SMILESCNC1CCC(CN)(c2cccc(Cl)c2)CC1.[H]/N=C/c1cc(C=O)cnc1NC(C)C
InChIInChI=1S/C14H21ClN2.C10H13N3O/c1-17-13-5-7-14(10-16,8-6-13)11-3-2-4-12(15)9-11;1-7(2)13-10-9(4-11)3-8(6-14)5-12-10/h2-4,9,13,17H,5-8,10,16H2,1H3;3-7,11H,1-2H3,(H,12,13)/b;11-4+
InChIKeyMYRZLCGPZDSKNX-ANTNIJRQSA-N
XLogP4.41
TPSA103.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.02
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one
CID 386586
1, 2-(3-Chlorophenyl)-5-methyl-
CID 386587
2-(3-chlorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one
CID 386588
(E)-3-(2-chlorophenyl)-1-[6-(cyclohexylamino)-3-pyridinyl]prop-2-en-1-one
CID 46880766
N-[1-(2-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 43077690
2-{[1-(3-Chlorophenyl)ethyl]amino}pyridine-3-carboxamide
CID 44326205
N-[2-(4-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide
CID 44772505
N-[2-(3-chlorophenyl)ethyl]-6-(propylamino)pyridine-3-carboxamide
CID 44772510
(E)-3-(2-chlorophenyl)-1-[6-(cyclopentylamino)-3-pyridinyl]prop-2-en-1-one
CID 46880767
(4-Chlorophenyl)-[5-(4-chlorophenyl)-2-(propylamino)-3-pyridinyl]methanone
CID 72712021
5-Chloro-6-[(4-phenylcyclohexyl)amino]pyridine-3-carboxamide
CID 75404267
5-Chloro-6-[methyl-(4-phenylcyclohexyl)amino]pyridine-3-carboxamide
CID 75415933

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde?
The IUPAC name of 4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde (CID 143705811) is 4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde.
What is the SMILES notation for 4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde?
The canonical SMILES for 4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde is CNC1CCC(CN)(c2cccc(Cl)c2)CC1.[H]/N=C/c1cc(C=O)cnc1NC(C)C.
What is the InChIKey of 4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde?
The InChIKey is MYRZLCGPZDSKNX-ANTNIJRQSA-N. The full InChI is InChI=1S/C14H21ClN2.C10H13N3O/c1-17-13-5-7-14(10-16,8-6-13)11-3-2-4-12(15)9-11;1-7(2)13-10-9(4-11)3-8(6-14)5-12-10/h2-4,9,13,17H,5-8,10,16H2,1H3;3-7,11H,1-2H3,(H,12,13)/b;11-4+.
What are the key properties of 4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde?
4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde has a molecular weight of 444.02 g/mol, XLogP of 4.41, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-(3-chlorophenyl)-N-methylcyclohexan-1-amine;5-methanimidoyl-6-(propan-2-ylamino)pyridine-3-carbaldehyde is sourced from PubChem (CID 143705811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).