3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

C15H28N2O2 — CID 62808740

IUPAC3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1CCCC(CN)C1
InChIInChI=1S/C15H28N2O2/c1-2-17(11-14-7-4-8-19-14)15(18)13-6-3-5-12(9-13)10-16/h12-14H,2-11,16H2,1H3
InChIKeyKGBYZGDISSNTGV-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.78
Rot. Bonds5

About 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide

3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 62808740) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID62808740
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1CCCC(CN)C1
InChIInChI=1S/C15H28N2O2/c1-2-17(11-14-7-4-8-19-14)15(18)13-6-3-5-12(9-13)10-16/h12-14H,2-11,16H2,1H3
InChIKeyKGBYZGDISSNTGV-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (CID 62808740) is 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is CCN(CC1CCCO1)C(=O)C1CCCC(CN)C1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is KGBYZGDISSNTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-17(11-14-7-4-8-19-14)15(18)13-6-3-5-12(9-13)10-16/h12-14H,2-11,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62808740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).