1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine

C13H26N2 — CID 62071894

IUPAC1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CC(CN)(NC2CC2)C1
InChIInChI=1S/C13H26N2/c1-10-6-12(2,3)8-13(7-10,9-14)15-11-4-5-11/h10-11,15H,4-9,14H2,1-3H3
InChIKeyZFEMCQQENHKGCO-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.28
Rot. Bonds3

About 1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine

1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 62071894) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine
PubChem CID62071894
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CC(CN)(NC2CC2)C1
InChIInChI=1S/C13H26N2/c1-10-6-12(2,3)8-13(7-10,9-14)15-11-4-5-11/h10-11,15H,4-9,14H2,1-3H3
InChIKeyZFEMCQQENHKGCO-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine (CID 62071894) is 1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine is CC1CC(C)(C)CC(CN)(NC2CC2)C1.
What is the InChIKey of 1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is ZFEMCQQENHKGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10-6-12(2,3)8-13(7-10,9-14)15-11-4-5-11/h10-11,15H,4-9,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-cyclopropyl-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 62071894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).