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

C14H26N2O2 — CID 62776848

IUPAC3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C14H26N2O2/c1-2-16(10-13-7-4-8-18-13)14(17)11-5-3-6-12(15)9-11/h11-13H,2-10,15H2,1H3
InChIKeyIMGNZFBPXHKHFT-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds4

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

3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 62776848) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
PubChem CID62776848
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
SMILESCCN(CC1CCCO1)C(=O)C1CCCC(N)C1
InChIInChI=1S/C14H26N2O2/c1-2-16(10-13-7-4-8-18-13)14(17)11-5-3-6-12(15)9-11/h11-13H,2-10,15H2,1H3
InChIKeyIMGNZFBPXHKHFT-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide (CID 62776848) is 3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is CCN(CC1CCCO1)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is IMGNZFBPXHKHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-16(10-13-7-4-8-18-13)14(17)11-5-3-6-12(15)9-11/h11-13H,2-10,15H2,1H3.
What are the key properties of 3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide?
3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62776848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).