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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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).