1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine

C15H25N3 — CID 113457163

IUPAC1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2ccc(C)nc2)CC1
InChIInChI=1S/C15H25N3/c1-12-4-5-13(10-17-12)11-18(3)15-8-6-14(16-2)7-9-15/h4-5,10,14-16H,6-9,11H2,1-3H3
InChIKeyOVXFRKPHVAVTCM-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.35
Rot. Bonds4

About 1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine (PubChem CID 113457163) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine
PubChem CID113457163
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2ccc(C)nc2)CC1
InChIInChI=1S/C15H25N3/c1-12-4-5-13(10-17-12)11-18(3)15-8-6-14(16-2)7-9-15/h4-5,10,14-16H,6-9,11H2,1-3H3
InChIKeyOVXFRKPHVAVTCM-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]benzonitrile
CID 79122853
N-methyl-N-[(6-methyl-3-pyridinyl)methyl]piperidin-3-amine
CID 104822677
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-cyclohexyl-N-[(6-methyl-3-pyridinyl)methyl]cyclohexanamine
CID 20791723
N-[[6-(difluoromethyl)-3-pyridinyl]methyl]-N-methylcyclopropanamine
CID 155399186
N-methyl-5-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]pyridin-2-amine
CID 62184630
2-(aminomethyl)-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]cyclohexan-1-amine
CID 104822694
1-N,4-N-dimethyl-4-N-(quinolin-8-ylmethyl)cyclohexane-1,4-diamine
CID 79117135
4-N-[(6-chloro-3-pyridinyl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121749
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62418713
4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122756
1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 116651532

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine (CID 113457163) is 1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine is CNC1CCC(N(C)Cc2ccc(C)nc2)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is OVXFRKPHVAVTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-12-4-5-13(10-17-12)11-18(3)15-8-6-14(16-2)7-9-15/h4-5,10,14-16H,6-9,11H2,1-3H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 113457163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).