N-(3-cyclopropylpropyl)-4-(methylamino)butanamide

C11H22N2O — CID 115740529

IUPACN-(3-cyclopropylpropyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCCC1CC1
InChIInChI=1S/C11H22N2O/c1-12-8-3-5-11(14)13-9-2-4-10-6-7-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyLIMILPKRQUXOJL-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.29
Rot. Bonds8

About N-(3-cyclopropylpropyl)-4-(methylamino)butanamide

N-(3-cyclopropylpropyl)-4-(methylamino)butanamide (PubChem CID 115740529) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-4-(methylamino)butanamide
PubChem CID115740529
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(3-cyclopropylpropyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCCC1CC1
InChIInChI=1S/C11H22N2O/c1-12-8-3-5-11(14)13-9-2-4-10-6-7-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyLIMILPKRQUXOJL-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-4-(methylamino)butanamide
CID 60841851
N-(3-cyclopropylpropyl)-2-(methylamino)acetamide
CID 115740545
4-chloro-N-(3-cyclopentylpropyl)butanamide
CID 106009634
N-(2-cyclopropylethyl)-4-hydroxybutanamide
CID 79192412
N-(3,3-dimethylbutyl)-4-(methylamino)butanamide
CID 115738133
2-cyclopropylethyl 4-(methylamino)butanoate
CID 106202653
7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
2-(cyclopropylmethylamino)-N-(3-cyclopropylpropyl)acetamide
CID 115740556
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
3-amino-N-(3-cyclopropylpropyl)butanamide
CID 115740565
N-[3-(methylamino)propyl]-3-(oxolan-3-yl)propanamide;hydrochloride
CID 119432420

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-4-(methylamino)butanamide?
The IUPAC name of N-(3-cyclopropylpropyl)-4-(methylamino)butanamide (CID 115740529) is N-(3-cyclopropylpropyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(3-cyclopropylpropyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(3-cyclopropylpropyl)-4-(methylamino)butanamide is CNCCCC(=O)NCCCC1CC1.
What is the InChIKey of N-(3-cyclopropylpropyl)-4-(methylamino)butanamide?
The InChIKey is LIMILPKRQUXOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-8-3-5-11(14)13-9-2-4-10-6-7-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of N-(3-cyclopropylpropyl)-4-(methylamino)butanamide?
N-(3-cyclopropylpropyl)-4-(methylamino)butanamide has a molecular weight of 198.31 g/mol, XLogP of 1.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-4-(methylamino)butanamide is sourced from PubChem (CID 115740529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).