N-cyclopropyl-N-methyl-4-(methylamino)butanamide

C9H18N2O — CID 60842400

IUPACN-cyclopropyl-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)C1CC1
InChIInChI=1S/C9H18N2O/c1-10-7-3-4-9(12)11(2)8-5-6-8/h8,10H,3-7H2,1-2H3
InChIKeyHXBNCIDSXWHSGE-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds5

About N-cyclopropyl-N-methyl-4-(methylamino)butanamide

N-cyclopropyl-N-methyl-4-(methylamino)butanamide (PubChem CID 60842400) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-4-(methylamino)butanamide
PubChem CID60842400
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-cyclopropyl-N-methyl-4-(methylamino)butanamide
SMILESCNCCCC(=O)N(C)C1CC1
InChIInChI=1S/C9H18N2O/c1-10-7-3-4-9(12)11(2)8-5-6-8/h8,10H,3-7H2,1-2H3
InChIKeyHXBNCIDSXWHSGE-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-(methylamino)-N-(thiolan-3-yl)butanamide
CID 60842926
N-cyclopropyl-4-hydroxy-N-methylbutanamide
CID 79203211
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide
CID 119746184
N-methyl-4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 119787273
5-chloro-N-cyclopropyl-N-methylpentanamide
CID 43264877
N-methyl-4-(methylamino)-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]butanamide
CID 119903136
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
N-methyl-N-[4-(propylamino)cyclohexyl]pentanamide
CID 79122715
N-cyclobutyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 102862127
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
N-cyclopentyl-N-(2-hydroxyethyl)-4-(methylamino)butanamide
CID 60953691
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
CID 119857551

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-cyclopropyl-N-methyl-4-(methylamino)butanamide (CID 60842400) is N-cyclopropyl-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-cyclopropyl-N-methyl-4-(methylamino)butanamide is CNCCCC(=O)N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-4-(methylamino)butanamide?
The InChIKey is HXBNCIDSXWHSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-7-3-4-9(12)11(2)8-5-6-8/h8,10H,3-7H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-4-(methylamino)butanamide?
N-cyclopropyl-N-methyl-4-(methylamino)butanamide has a molecular weight of 170.26 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 60842400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).