1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine

C14H26N4 — CID 61438311

IUPAC1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCCC1(CN)N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H26N4/c1-12-6-4-5-7-14(12,11-15)17(2)9-13-8-16-18(3)10-13/h8,10,12H,4-7,9,11,15H2,1-3H3
InChIKeyFUACPEJTKLFDDX-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.76
Rot. Bonds4

About 1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine

1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 61438311) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID61438311
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCC1CCCCC1(CN)N(C)Cc1cnn(C)c1
InChIInChI=1S/C14H26N4/c1-12-6-4-5-7-14(12,11-15)17(2)9-13-8-16-18(3)10-13/h8,10,12H,4-7,9,11,15H2,1-3H3
InChIKeyFUACPEJTKLFDDX-UHFFFAOYSA-N
XLogP1.76
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thian-3-amine
CID 79952313
1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 79521086
2-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127317
1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
CID 43564802
1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 61438543
1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62128099
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62617070
1-(aminomethyl)-N,2,4-trimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 64761545
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
1-(aminomethyl)-N,2-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 65044747
methyl 1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexane-1-carboxylate
CID 75433750
1-(aminomethyl)-N-cyclohexyl-N,2-dimethylcyclohexan-1-amine
CID 43409641

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine (CID 61438311) is 1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine is CC1CCCCC1(CN)N(C)Cc1cnn(C)c1.
What is the InChIKey of 1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is FUACPEJTKLFDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12-6-4-5-7-14(12,11-15)17(2)9-13-8-16-18(3)10-13/h8,10,12H,4-7,9,11,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 61438311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).