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

C13H18N2 — CID 82658680

IUPAC3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine
SMILESNC12CC1CCN(Cc1ccccc1)C2
InChIInChI=1S/C13H18N2/c14-13-8-12(13)6-7-15(10-13)9-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2
InChIKeyXOWCDVZSWMNBHV-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.61
Rot. Bonds2

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

3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine (PubChem CID 82658680) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine.

Molecular Properties

Compound Name3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine
PubChem CID82658680
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine
SMILESNC12CC1CCN(Cc1ccccc1)C2
InChIInChI=1S/C13H18N2/c14-13-8-12(13)6-7-15(10-13)9-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2
InChIKeyXOWCDVZSWMNBHV-UHFFFAOYSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
CID 11171961
1-(1-benzylazepan-4-yl)cyclopropan-1-amine
CID 83912862
7-benzyl-7-azaspiro[4.5]decan-10-amine
CID 82385401
(1S,6R)-3-benzyl-1-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 24861877
(5S,8R)-2-benzyl-2-azaspiro[4.4]nonan-8-amine
CID 98089072
6-benzyl-1,2,3,4,5,7,8,8a-octahydro-2,6-naphthyridin-4a-ol
CID 83669932
3-benzyl-8-methyl-3-azabicyclo[3.2.1]octan-8-amine
CID 70655281
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine
CID 83825709
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
3-benzyl-3-azabicyclo[4.1.0]heptane-1-carbaldehyde;(3-benzyl-3-azabicyclo[4.1.0]heptan-1-yl)methanol;methane
CID 158201630
7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine?
The IUPAC name of 3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine (CID 82658680) is 3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine.
What is the SMILES notation for 3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine?
The canonical SMILES for 3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine is NC12CC1CCN(Cc1ccccc1)C2.
What is the InChIKey of 3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine?
The InChIKey is XOWCDVZSWMNBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c14-13-8-12(13)6-7-15(10-13)9-11-4-2-1-3-5-11/h1-5,12H,6-10,14H2.
What are the key properties of 3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine?
3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine is sourced from PubChem (CID 82658680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).