3-(cyclobutylmethylamino)butanamide

C9H18N2O — CID 115676578

IUPAC3-(cyclobutylmethylamino)butanamide
SMILESCC(CC(N)=O)NCC1CCC1
InChIInChI=1S/C9H18N2O/c1-7(5-9(10)12)11-6-8-3-2-4-8/h7-8,11H,2-6H2,1H3,(H2,10,12)
InChIKeyMIMPTHUCOPHKHO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.64
Rot. Bonds5

About 3-(cyclobutylmethylamino)butanamide

3-(cyclobutylmethylamino)butanamide (PubChem CID 115676578) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(cyclobutylmethylamino)butanamide.

Molecular Properties

Compound Name3-(cyclobutylmethylamino)butanamide
PubChem CID115676578
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(cyclobutylmethylamino)butanamide
SMILESCC(CC(N)=O)NCC1CCC1
InChIInChI=1S/C9H18N2O/c1-7(5-9(10)12)11-6-8-3-2-4-8/h7-8,11H,2-6H2,1H3,(H2,10,12)
InChIKeyMIMPTHUCOPHKHO-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyclobutylethylamino)butanamide
CID 115893474
3-(cyclopentylmethylamino)butanoic acid
CID 43536958
methyl 3-(cyclopentylmethylamino)butanoate
CID 43536965
3-[(3-cyclopentyl-2-hydroxypropyl)amino]butanamide
CID 103158365
3-(oxan-2-ylmethylamino)butanamide
CID 115676557
3-(piperidin-2-ylmethylamino)butanamide
CID 106634453
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
2-(cyclohexylmethylamino)propanamide
CID 43216154
ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate
CID 63243710
1-N'-(cyclobutylmethyl)ethane-1,1-diamine
CID 173135813
3-(ethylamino)butanamide
CID 18792210
3-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 79390885

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethylamino)butanamide?
The IUPAC name of 3-(cyclobutylmethylamino)butanamide (CID 115676578) is 3-(cyclobutylmethylamino)butanamide.
What is the SMILES notation for 3-(cyclobutylmethylamino)butanamide?
The canonical SMILES for 3-(cyclobutylmethylamino)butanamide is CC(CC(N)=O)NCC1CCC1.
What is the InChIKey of 3-(cyclobutylmethylamino)butanamide?
The InChIKey is MIMPTHUCOPHKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(5-9(10)12)11-6-8-3-2-4-8/h7-8,11H,2-6H2,1H3,(H2,10,12).
What are the key properties of 3-(cyclobutylmethylamino)butanamide?
3-(cyclobutylmethylamino)butanamide has a molecular weight of 170.26 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylamino)butanamide is sourced from PubChem (CID 115676578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).