3-(cyclopropylamino)-N-(4-methylpentyl)propanamide

C12H24N2O — CID 61043178

IUPAC3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
SMILESCC(C)CCCNC(=O)CCNC1CC1
InChIInChI=1S/C12H24N2O/c1-10(2)4-3-8-14-12(15)7-9-13-11-5-6-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyGVDKNFWVGKCOGJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.68
Rot. Bonds8

About 3-(cyclopropylamino)-N-(4-methylpentyl)propanamide

3-(cyclopropylamino)-N-(4-methylpentyl)propanamide (PubChem CID 61043178) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(4-methylpentyl)propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
PubChem CID61043178
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
SMILESCC(C)CCCNC(=O)CCNC1CC1
InChIInChI=1S/C12H24N2O/c1-10(2)4-3-8-14-12(15)7-9-13-11-5-6-11/h10-11,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyGVDKNFWVGKCOGJ-UHFFFAOYSA-N
XLogP1.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.68
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

3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 113410047
N-(3-aminopropyl)-3-(cyclopropylamino)propanamide
CID 61275861
N-[3-(cyclopropylamino)propyl]-3-methylbutanamide
CID 43596351
3-(cyclopropylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761100
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207
3-(tert-butylamino)-N-(4-methylpentyl)propanamide
CID 61044511
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide
CID 65091127
3-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 60843500
N-(4-methylpentyl)propanamide
CID 54140551

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(4-methylpentyl)propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-(4-methylpentyl)propanamide (CID 61043178) is 3-(cyclopropylamino)-N-(4-methylpentyl)propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(4-methylpentyl)propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(4-methylpentyl)propanamide is CC(C)CCCNC(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-(4-methylpentyl)propanamide?
The InChIKey is GVDKNFWVGKCOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)4-3-8-14-12(15)7-9-13-11-5-6-11/h10-11,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-(cyclopropylamino)-N-(4-methylpentyl)propanamide?
3-(cyclopropylamino)-N-(4-methylpentyl)propanamide has a molecular weight of 212.34 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(4-methylpentyl)propanamide is sourced from PubChem (CID 61043178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).