N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide

C8H16N2O — CID 24711673

IUPACN-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCCN
InChIInChI=1S/C8H16N2O/c1-6-5-7(6)8(11)10-4-2-3-9/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyHYSFYDFMVGFJBX-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.11
Rot. Bonds4

About N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide

N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 24711673) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide
PubChem CID24711673
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCCN
InChIInChI=1S/C8H16N2O/c1-6-5-7(6)8(11)10-4-2-3-9/h6-7H,2-5,9H2,1H3,(H,10,11)
InChIKeyHYSFYDFMVGFJBX-UHFFFAOYSA-N
XLogP0.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.11
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

4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
N-(6-hydroxyhexyl)-2-methylcyclopropane-1-carboxamide
CID 103919117
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
N-(3-amino-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 43350590
N-(3-cyanopropyl)-2-methylcyclopropane-1-carboxamide
CID 62667763
2-methyl-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 62657204
N-(3-aminopropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61365117
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
cis-(1S,2R)-2-(4-aminobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 93367078
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide
CID 78858799
N-(2-amino-2-methylpropyl)-2-methylcyclopropane-1-carboxamide
CID 81483791
2-methyl-N-[(E)-pent-3-enyl]cyclopropane-1-carboxamide
CID 115627883

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide (CID 24711673) is N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is HYSFYDFMVGFJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-5-7(6)8(11)10-4-2-3-9/h6-7H,2-5,9H2,1H3,(H,10,11).
What are the key properties of N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide?
N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 156.23 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 24711673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).