4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide

C13H27N3O — CID 102639944

IUPAC4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN(C)C1CCCCC1N
InChIInChI=1S/C13H27N3O/c1-15(2)13(17)9-6-10-16(3)12-8-5-4-7-11(12)14/h11-12H,4-10,14H2,1-3H3
InChIKeyXBEDKZOXGOKASH-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.06
Rot. Bonds5

About 4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide

4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide (PubChem CID 102639944) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide
PubChem CID102639944
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCN(C)C1CCCCC1N
InChIInChI=1S/C13H27N3O/c1-15(2)13(17)9-6-10-16(3)12-8-5-4-7-11(12)14/h11-12H,4-10,14H2,1-3H3
InChIKeyXBEDKZOXGOKASH-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide (CID 102639944) is 4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide is CN(C)C(=O)CCCN(C)C1CCCCC1N.
What is the InChIKey of 4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide?
The InChIKey is XBEDKZOXGOKASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-15(2)13(17)9-6-10-16(3)12-8-5-4-7-11(12)14/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide?
4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide has a molecular weight of 241.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocyclohexyl)-methylamino]-N,N-dimethylbutanamide is sourced from PubChem (CID 102639944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).