1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine

C15H28N4 — CID 62128099

IUPAC1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCCN(Cc1cnn(C)c1)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H28N4/c1-4-19(11-14-9-17-18(3)10-14)15(12-16)7-5-13(2)6-8-15/h9-10,13H,4-8,11-12,16H2,1-3H3
InChIKeyBSZSEPOHAPZTRX-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.15
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine

1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 62128099) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID62128099
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
SMILESCCN(Cc1cnn(C)c1)C1(CN)CCC(C)CC1
InChIInChI=1S/C15H28N4/c1-4-19(11-14-9-17-18(3)10-14)15(12-16)7-5-13(2)6-8-15/h9-10,13H,4-8,11-12,16H2,1-3H3
InChIKeyBSZSEPOHAPZTRX-UHFFFAOYSA-N
XLogP2.15
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 62006924
1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 61438543
4-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62126227
1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 79521086
1-(aminomethyl)-N-ethyl-4-methyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 63264588
1-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 61438311
4-methyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 65115613
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 63485980
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
1-(aminomethyl)-N-ethyl-N-[(4-ethylphenyl)methyl]cycloheptan-1-amine
CID 63480828
N,N,3-trimethyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 61212484
1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylcyclohexan-1-amine
CID 62125809

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine (CID 62128099) is 1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine is CCN(Cc1cnn(C)c1)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is BSZSEPOHAPZTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-19(11-14-9-17-18(3)10-14)15(12-16)7-5-13(2)6-8-15/h9-10,13H,4-8,11-12,16H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine?
1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62128099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).