N-(cyclopropylmethyl)-4-(methylamino)butanamide

C9H18N2O — CID 60841851

IUPACN-(cyclopropylmethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC1CC1
InChIInChI=1S/C9H18N2O/c1-10-6-2-3-9(12)11-7-8-4-5-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyCTRIGZGCUQIADA-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.51
Rot. Bonds6

About N-(cyclopropylmethyl)-4-(methylamino)butanamide

N-(cyclopropylmethyl)-4-(methylamino)butanamide (PubChem CID 60841851) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(methylamino)butanamide
PubChem CID60841851
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(cyclopropylmethyl)-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC1CC1
InChIInChI=1S/C9H18N2O/c1-10-6-2-3-9(12)11-7-8-4-5-8/h8,10H,2-7H2,1H3,(H,11,12)
InChIKeyCTRIGZGCUQIADA-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.51
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-(3-cyclopropylpropyl)-4-(methylamino)butanamide
CID 115740529
4-(methylamino)-N-(oxan-3-ylmethyl)butanamide
CID 61019472
4-(methylamino)-N-[(3-methylcyclohexyl)methyl]butanamide;hydrochloride
CID 119750255
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-(methylamino)butanamide
CID 60859292
N-[(4-ethylcyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 54880970
N-[(4-aminocyclohexyl)methyl]pentanamide
CID 106124302
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
5-[(4-methylcyclohexyl)methylamino]-5-oxopentanoic acid
CID 63243932
5-hydroxy-N-[(4-methylcyclohexyl)methyl]pentanamide
CID 79208918
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
4-hydroxy-N-[(4-hydroxycyclohexyl)methyl]butanamide
CID 106137727

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(methylamino)butanamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(methylamino)butanamide (CID 60841851) is N-(cyclopropylmethyl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(methylamino)butanamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(methylamino)butanamide is CNCCCC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(methylamino)butanamide?
The InChIKey is CTRIGZGCUQIADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-10-6-2-3-9(12)11-7-8-4-5-8/h8,10H,2-7H2,1H3,(H,11,12).
What are the key properties of N-(cyclopropylmethyl)-4-(methylamino)butanamide?
N-(cyclopropylmethyl)-4-(methylamino)butanamide has a molecular weight of 170.26 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(methylamino)butanamide is sourced from PubChem (CID 60841851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).