1-(3-aminopropanoylamino)cyclohexane-1-carboxamide

C10H19N3O2 — CID 119296087

IUPAC1-(3-aminopropanoylamino)cyclohexane-1-carboxamide
SMILESNCCC(=O)NC1(C(N)=O)CCCCC1
InChIInChI=1S/C10H19N3O2/c11-7-4-8(14)13-10(9(12)15)5-2-1-3-6-10/h1-7,11H2,(H2,12,15)(H,13,14)
InChIKeyDHGDOFVBTRZPON-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.36
Rot. Bonds4

About 1-(3-aminopropanoylamino)cyclohexane-1-carboxamide

1-(3-aminopropanoylamino)cyclohexane-1-carboxamide (PubChem CID 119296087) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3-aminopropanoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropanoylamino)cyclohexane-1-carboxamide
PubChem CID119296087
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-(3-aminopropanoylamino)cyclohexane-1-carboxamide
SMILESNCCC(=O)NC1(C(N)=O)CCCCC1
InChIInChI=1S/C10H19N3O2/c11-7-4-8(14)13-10(9(12)15)5-2-1-3-6-10/h1-7,11H2,(H2,12,15)(H,13,14)
InChIKeyDHGDOFVBTRZPON-UHFFFAOYSA-N
XLogP-0.36
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropanoylamino)cyclohexane-1-carboxamide?
The IUPAC name of 1-(3-aminopropanoylamino)cyclohexane-1-carboxamide (CID 119296087) is 1-(3-aminopropanoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(3-aminopropanoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(3-aminopropanoylamino)cyclohexane-1-carboxamide is NCCC(=O)NC1(C(N)=O)CCCCC1.
What is the InChIKey of 1-(3-aminopropanoylamino)cyclohexane-1-carboxamide?
The InChIKey is DHGDOFVBTRZPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c11-7-4-8(14)13-10(9(12)15)5-2-1-3-6-10/h1-7,11H2,(H2,12,15)(H,13,14).
What are the key properties of 1-(3-aminopropanoylamino)cyclohexane-1-carboxamide?
1-(3-aminopropanoylamino)cyclohexane-1-carboxamide has a molecular weight of 213.28 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropanoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 119296087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).