N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide

C10H18N2O — CID 81459042

IUPACN-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESNCCNC(=O)C1C2CCCCC21
InChIInChI=1S/C10H18N2O/c11-5-6-12-10(13)9-7-3-1-2-4-8(7)9/h7-9H,1-6,11H2,(H,12,13)
InChIKeyAMCFRWQUBKREQV-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.50
Rot. Bonds3

About N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 81459042) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID81459042
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESNCCNC(=O)C1C2CCCCC21
InChIInChI=1S/C10H18N2O/c11-5-6-12-10(13)9-7-3-1-2-4-8(7)9/h7-9H,1-6,11H2,(H,12,13)
InChIKeyAMCFRWQUBKREQV-UHFFFAOYSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81449431
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899
N-(4-bromobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 106845738
N-(5-hydroxypentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 107318652
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-prop-2-enylbicyclo[4.1.0]heptane-7-carboxamide
CID 4301039
3-(bicyclo[3.1.0]hexane-6-carbonylamino)propanoic acid
CID 81454952
N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 111540255
N-(4-cyanobutyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79208844
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
N-[2-(2-methoxyethylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 82994614
N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide
CID 79139027

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 81459042) is N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide is NCCNC(=O)C1C2CCCCC21.
What is the InChIKey of N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is AMCFRWQUBKREQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-5-6-12-10(13)9-7-3-1-2-4-8(7)9/h7-9H,1-6,11H2,(H,12,13).
What are the key properties of N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 81459042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).