2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine

C15H28N4 — CID 114556378

IUPAC2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCN(Cc1ccnn1CC)C1CCCCC1CN
InChIInChI=1S/C15H28N4/c1-3-18(12-14-9-10-17-19(14)4-2)15-8-6-5-7-13(15)11-16/h9-10,13,15H,3-8,11-12,16H2,1-2H3
InChIKeyVWSOXGDORLDFCI-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.24
Rot. Bonds6

About 2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine

2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 114556378) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine
PubChem CID114556378
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine
SMILESCCN(Cc1ccnn1CC)C1CCCCC1CN
InChIInChI=1S/C15H28N4/c1-3-18(12-14-9-10-17-19(14)4-2)15-8-6-5-7-13(15)11-16/h9-10,13,15H,3-8,11-12,16H2,1-2H3
InChIKeyVWSOXGDORLDFCI-UHFFFAOYSA-N
XLogP2.24
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-ethyl-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107045279
2-(aminomethyl)-N-[(4,6-dichloro-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine
CID 116519825
2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine
CID 79428075
2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine
CID 79982572
2-(aminomethyl)-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]cyclopentan-1-amine
CID 102877791
2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
CID 43293554
[2-(2-ethylpyrazol-3-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81012812
2-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-ethylcyclohexan-1-amine
CID 66418374
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-4,5-dihydro-1H-imidazol-2-amine
CID 114400565
2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 116502185
2-N-ethyl-2-N-(pyridin-4-ylmethyl)cyclohexane-1,2-diamine
CID 61451044
2-(aminomethyl)-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 81004724

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine (CID 114556378) is 2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine is CCN(Cc1ccnn1CC)C1CCCCC1CN.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is VWSOXGDORLDFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-18(12-14-9-10-17-19(14)4-2)15-8-6-5-7-13(15)11-16/h9-10,13,15H,3-8,11-12,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine?
2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 114556378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).