2-amino-N-butyl-N-methylcyclopropane-1-carboxamide

C9H18N2O — CID 114995245

IUPAC2-amino-N-butyl-N-methylcyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CC1N
InChIInChI=1S/C9H18N2O/c1-3-4-5-11(2)9(12)7-6-8(7)10/h7-8H,3-6,10H2,1-2H3
InChIKeyMTVORWJLAHMXEI-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds4

About 2-amino-N-butyl-N-methylcyclopropane-1-carboxamide

2-amino-N-butyl-N-methylcyclopropane-1-carboxamide (PubChem CID 114995245) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-amino-N-butyl-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-butyl-N-methylcyclopropane-1-carboxamide
PubChem CID114995245
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-amino-N-butyl-N-methylcyclopropane-1-carboxamide
SMILESCCCCN(C)C(=O)C1CC1N
InChIInChI=1S/C9H18N2O/c1-3-4-5-11(2)9(12)7-6-8(7)10/h7-8H,3-6,10H2,1-2H3
InChIKeyMTVORWJLAHMXEI-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-butyl-N-methylcyclopropane-1-carboxamide (CID 114995245) is 2-amino-N-butyl-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-butyl-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-butyl-N-methylcyclopropane-1-carboxamide is CCCCN(C)C(=O)C1CC1N.
What is the InChIKey of 2-amino-N-butyl-N-methylcyclopropane-1-carboxamide?
The InChIKey is MTVORWJLAHMXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-5-11(2)9(12)7-6-8(7)10/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 2-amino-N-butyl-N-methylcyclopropane-1-carboxamide?
2-amino-N-butyl-N-methylcyclopropane-1-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 114995245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).