3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine

C8H16N2 — CID 117273467

IUPAC3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine
SMILESCCN1CCC2CC2(N)C1
InChIInChI=1S/C8H16N2/c1-2-10-4-3-7-5-8(7,9)6-10/h7H,2-6,9H2,1H3
InChIKeyPKXZOHNUOQAJRB-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.43
Rot. Bonds1

About 3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine

3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine (PubChem CID 117273467) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine.

Molecular Properties

Compound Name3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine
PubChem CID117273467
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine
SMILESCCN1CCC2CC2(N)C1
InChIInChI=1S/C8H16N2/c1-2-10-4-3-7-5-8(7,9)6-10/h7H,2-6,9H2,1H3
InChIKeyPKXZOHNUOQAJRB-UHFFFAOYSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S,6S)-5-fluoro-3-methyl-3-azabicyclo[4.1.0]heptan-6-amine
CID 178125860
1-[(4-Fluoro-4-methylazepan-1-yl)methyl]cyclopropan-1-amine
CID 115022058
1,2,2,3-Tetramethylpiperidin-3-amine
CID 22676984
3-Azabicyclo[4.1.0]heptan-1-amine
CID 54382136
1-Tert-butyl-4-cyclopropylpiperidin-4-amine
CID 58315256
1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine
CID 59363705
1-[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]-N-methylmethanamine
CID 59396017
1-[(4-Methylpiperidin-1-yl)methyl]cyclopropan-1-amine
CID 65457486
3-Tert-butyl-3-azabicyclo[4.1.0]heptane
CID 68023408
4-Cyclopropyl-1-ethylpiperidin-4-amine
CID 68324750
1,3,5-Trimethylazepan-3-amine
CID 69648286
1-[(4-Methyl-4,7-diazaspiro[2.5]octan-7-yl)methyl]cyclohexan-1-amine
CID 70308122

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine?
The IUPAC name of 3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine (CID 117273467) is 3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine.
What is the SMILES notation for 3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine?
The canonical SMILES for 3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine is CCN1CCC2CC2(N)C1.
What is the InChIKey of 3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine?
The InChIKey is PKXZOHNUOQAJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-10-4-3-7-5-8(7,9)6-10/h7H,2-6,9H2,1H3.
What are the key properties of 3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine?
3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-azabicyclo[4.1.0]heptan-1-amine is sourced from PubChem (CID 117273467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).