1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine

C17H34N2 — CID 63471584

IUPAC1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine
SMILESCCC1CCC(N(C)C2(CN)CCCC(C)C2)CC1
InChIInChI=1S/C17H34N2/c1-4-15-7-9-16(10-8-15)19(3)17(13-18)11-5-6-14(2)12-17/h14-16H,4-13,18H2,1-3H3
InChIKeyLSZSOTZIPULNNR-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.79
Rot. Bonds4

About 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine (PubChem CID 63471584) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine
PubChem CID63471584
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine
SMILESCCC1CCC(N(C)C2(CN)CCCC(C)C2)CC1
InChIInChI=1S/C17H34N2/c1-4-15-7-9-16(10-8-15)19(3)17(13-18)11-5-6-14(2)12-17/h14-16H,4-13,18H2,1-3H3
InChIKeyLSZSOTZIPULNNR-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine (CID 63471584) is 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine is CCC1CCC(N(C)C2(CN)CCCC(C)C2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine?
The InChIKey is LSZSOTZIPULNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-15-7-9-16(10-8-15)19(3)17(13-18)11-5-6-14(2)12-17/h14-16H,4-13,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63471584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).