2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide

C10H21N3O — CID 114995087

IUPAC2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide
SMILESCN(C)CCCCNC(=O)C1CC1N
InChIInChI=1S/C10H21N3O/c1-13(2)6-4-3-5-12-10(14)8-7-9(8)11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyXORGIYAMYUPKTD-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.21
Rot. Bonds6

About 2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide

2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide (PubChem CID 114995087) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide
PubChem CID114995087
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide
SMILESCN(C)CCCCNC(=O)C1CC1N
InChIInChI=1S/C10H21N3O/c1-13(2)6-4-3-5-12-10(14)8-7-9(8)11/h8-9H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyXORGIYAMYUPKTD-UHFFFAOYSA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
CID 62782762
2-amino-N-[3-(dimethylamino)propyl]cyclohexane-1-carboxamide
CID 62775948
5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706457
5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide
CID 62781307
1-N-[2-(dimethylamino)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109133696
4-amino-N-[4-(dimethylamino)butyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628742
2-N-[3-(dimethylamino)propyl]-1-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133090
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]cyclopropane-1-carboxamide
CID 114995925
N-[4-(dimethylamino)butyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84563569
5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106052842
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
trans-(1R,2R)-N-[3-(dimethylamino)propyl]-2-(methylamino)cyclohexane-1-carboxamide
CID 58751710

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide (CID 114995087) is 2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide is CN(C)CCCCNC(=O)C1CC1N.
What is the InChIKey of 2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide?
The InChIKey is XORGIYAMYUPKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-13(2)6-4-3-5-12-10(14)8-7-9(8)11/h8-9H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide?
2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide has a molecular weight of 199.30 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(dimethylamino)butyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 114995087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).