3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide

C13H27N3O — CID 79636529

IUPAC3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide
SMILESCCCN(CC)C1CCCC(NC)(C(N)=O)C1
InChIInChI=1S/C13H27N3O/c1-4-9-16(5-2)11-7-6-8-13(10-11,15-3)12(14)17/h11,15H,4-10H2,1-3H3,(H2,14,17)
InChIKeyZSICIAKEBFRWRR-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.10
Rot. Bonds6

About 3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide

3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide (PubChem CID 79636529) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide
PubChem CID79636529
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide
SMILESCCCN(CC)C1CCCC(NC)(C(N)=O)C1
InChIInChI=1S/C13H27N3O/c1-4-9-16(5-2)11-7-6-8-13(10-11,15-3)12(14)17/h11,15H,4-10H2,1-3H3,(H2,14,17)
InChIKeyZSICIAKEBFRWRR-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide (CID 79636529) is 3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide is CCCN(CC)C1CCCC(NC)(C(N)=O)C1.
What is the InChIKey of 3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide?
The InChIKey is ZSICIAKEBFRWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-9-16(5-2)11-7-6-8-13(10-11,15-3)12(14)17/h11,15H,4-10H2,1-3H3,(H2,14,17).
What are the key properties of 3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide?
3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]-1-(methylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79636529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).