1-(4-aminobutanoylamino)cyclohexane-1-carboxamide

C11H21N3O2 — CID 119296103

IUPAC1-(4-aminobutanoylamino)cyclohexane-1-carboxamide
SMILESNCCCC(=O)NC1(C(N)=O)CCCCC1
InChIInChI=1S/C11H21N3O2/c12-8-4-5-9(15)14-11(10(13)16)6-2-1-3-7-11/h1-8,12H2,(H2,13,16)(H,14,15)
InChIKeyHEWYFNDWYFOPEW-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.03
Rot. Bonds5

About 1-(4-aminobutanoylamino)cyclohexane-1-carboxamide

1-(4-aminobutanoylamino)cyclohexane-1-carboxamide (PubChem CID 119296103) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(4-aminobutanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminobutanoylamino)cyclohexane-1-carboxamide
PubChem CID119296103
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(4-aminobutanoylamino)cyclohexane-1-carboxamide
SMILESNCCCC(=O)NC1(C(N)=O)CCCCC1
InChIInChI=1S/C11H21N3O2/c12-8-4-5-9(15)14-11(10(13)16)6-2-1-3-7-11/h1-8,12H2,(H2,13,16)(H,14,15)
InChIKeyHEWYFNDWYFOPEW-UHFFFAOYSA-N
XLogP0.03
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of 1-(4-aminobutanoylamino)cyclohexane-1-carboxamide (CID 119296103) is 1-(4-aminobutanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(4-aminobutanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(4-aminobutanoylamino)cyclohexane-1-carboxamide is NCCCC(=O)NC1(C(N)=O)CCCCC1.
What is the InChIKey of 1-(4-aminobutanoylamino)cyclohexane-1-carboxamide?
The InChIKey is HEWYFNDWYFOPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-8-4-5-9(15)14-11(10(13)16)6-2-1-3-7-11/h1-8,12H2,(H2,13,16)(H,14,15).
What are the key properties of 1-(4-aminobutanoylamino)cyclohexane-1-carboxamide?
1-(4-aminobutanoylamino)cyclohexane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 119296103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).