2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide

C15H29N3O — CID 63053076

IUPAC2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide
SMILESCC1CCCCC1N(C)CCC(NC1CC1)C(N)=O
InChIInChI=1S/C15H29N3O/c1-11-5-3-4-6-14(11)18(2)10-9-13(15(16)19)17-12-7-8-12/h11-14,17H,3-10H2,1-2H3,(H2,16,19)
InChIKeyVSJKUSCSCKDEMA-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.49
Rot. Bonds7

About 2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide

2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide (PubChem CID 63053076) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide
PubChem CID63053076
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide
SMILESCC1CCCCC1N(C)CCC(NC1CC1)C(N)=O
InChIInChI=1S/C15H29N3O/c1-11-5-3-4-6-14(11)18(2)10-9-13(15(16)19)17-12-7-8-12/h11-14,17H,3-10H2,1-2H3,(H2,16,19)
InChIKeyVSJKUSCSCKDEMA-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide (CID 63053076) is 2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide is CC1CCCCC1N(C)CCC(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide?
The InChIKey is VSJKUSCSCKDEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11-5-3-4-6-14(11)18(2)10-9-13(15(16)19)17-12-7-8-12/h11-14,17H,3-10H2,1-2H3,(H2,16,19).
What are the key properties of 2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide?
2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide has a molecular weight of 267.42 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide is sourced from PubChem (CID 63053076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).