1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine

C14H28N2 — CID 81321623

IUPAC1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1(CN)NCC1CC1
InChIInChI=1S/C14H28N2/c1-11-8-13(2,3)6-7-14(11,10-15)16-9-12-4-5-12/h11-12,16H,4-10,15H2,1-3H3
InChIKeyURNAMJPEVAMGPH-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.53
Rot. Bonds4

About 1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81321623) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81321623
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1(CN)NCC1CC1
InChIInChI=1S/C14H28N2/c1-11-8-13(2,3)6-7-14(11,10-15)16-9-12-4-5-12/h11-12,16H,4-10,15H2,1-3H3
InChIKeyURNAMJPEVAMGPH-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine (CID 81321623) is 1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine is CC1CC(C)(C)CCC1(CN)NCC1CC1.
What is the InChIKey of 1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is URNAMJPEVAMGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-8-13(2,3)6-7-14(11,10-15)16-9-12-4-5-12/h11-12,16H,4-10,15H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81321623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).