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

C18H34N2 — CID 81320669

IUPAC1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1(CN)NCC(C1CC1)C1CC1
InChIInChI=1S/C18H34N2/c1-13-10-17(2,3)8-9-18(13,12-19)20-11-16(14-4-5-14)15-6-7-15/h13-16,20H,4-12,19H2,1-3H3
InChIKeyRVABRZDQRZAMRW-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.56
Rot. Bonds6

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

1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 81320669) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine
PubChem CID81320669
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1(CN)NCC(C1CC1)C1CC1
InChIInChI=1S/C18H34N2/c1-13-10-17(2,3)8-9-18(13,12-19)20-11-16(14-4-5-14)15-6-7-15/h13-16,20H,4-12,19H2,1-3H3
InChIKeyRVABRZDQRZAMRW-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine (CID 81320669) is 1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine is CC1CC(C)(C)CCC1(CN)NCC(C1CC1)C1CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is RVABRZDQRZAMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-13-10-17(2,3)8-9-18(13,12-19)20-11-16(14-4-5-14)15-6-7-15/h13-16,20H,4-12,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 278.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-dicyclopropylethyl)-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 81320669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).