1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide

C16H30N2O2 — CID 115441782

IUPAC1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCCN(CC1CCOC1)C(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C16H30N2O2/c1-3-18(10-14-6-9-20-11-14)15(19)16(12-17)7-4-13(2)5-8-16/h13-14H,3-12,17H2,1-2H3
InChIKeyYSWXPWOEAANQLL-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.03
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide

1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 115441782) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID115441782
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCCN(CC1CCOC1)C(=O)C1(CN)CCC(C)CC1
InChIInChI=1S/C16H30N2O2/c1-3-18(10-14-6-9-20-11-14)15(19)16(12-17)7-4-13(2)5-8-16/h13-14H,3-12,17H2,1-2H3
InChIKeyYSWXPWOEAANQLL-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide (CID 115441782) is 1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide is CCN(CC1CCOC1)C(=O)C1(CN)CCC(C)CC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is YSWXPWOEAANQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-18(10-14-6-9-20-11-14)15(19)16(12-17)7-4-13(2)5-8-16/h13-14H,3-12,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115441782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).