1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine

C13H24N4 — CID 82866259

IUPAC1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2ccn(C)n2)CC1
InChIInChI=1S/C13H24N4/c1-14-11-4-6-13(7-5-11)16(2)10-12-8-9-17(3)15-12/h8-9,11,13-14H,4-7,10H2,1-3H3
InChIKeyRWJRXUMCTFCIRC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.38
Rot. Bonds4

About 1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 82866259) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
PubChem CID82866259
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)Cc2ccn(C)n2)CC1
InChIInChI=1S/C13H24N4/c1-14-11-4-6-13(7-5-11)16(2)10-12-8-9-17(3)15-12/h8-9,11,13-14H,4-7,10H2,1-3H3
InChIKeyRWJRXUMCTFCIRC-UHFFFAOYSA-N
XLogP1.38
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122208
3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine
CID 115881332
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82866663
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine
CID 154745000
N-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 82869947
N'-cyclopropyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866808
4-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-N-ethyl-4-N-methylcyclohexane-1,4-diamine
CID 79116958
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
CID 114144133
2-[cyclopentyl-[(1-methylpyrazol-3-yl)methyl]amino]ethanol
CID 82878038
N'-cyclopentyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866285
4-[[methyl-[4-(methylamino)cyclohexyl]amino]methyl]benzonitrile
CID 79122853

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine (CID 82866259) is 1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine is CNC1CCC(N(C)Cc2ccn(C)n2)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is RWJRXUMCTFCIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-14-11-4-6-13(7-5-11)16(2)10-12-8-9-17(3)15-12/h8-9,11,13-14H,4-7,10H2,1-3H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 82866259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).