(6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine

C15H22N2 — CID 174034273

IUPAC(6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine
SMILESCCC1C2CN(Cc3ccccc3)CC2[C@H]1N
InChIInChI=1S/C15H22N2/c1-2-12-13-9-17(10-14(13)15(12)16)8-11-6-4-3-5-7-11/h3-7,12-15H,2,8-10,16H2,1H3/t12?,13?,14?,15-/m0/s1
InChIKeyQKIKNZRXAIDLKB-BOADVZGGSA-N
MW230.36 g/mol
LogP2.10
Rot. Bonds3

About (6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine

(6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine (PubChem CID 174034273) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name(6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine
PubChem CID174034273
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine
SMILESCCC1C2CN(Cc3ccccc3)CC2[C@H]1N
InChIInChI=1S/C15H22N2/c1-2-12-13-9-17(10-14(13)15(12)16)8-11-6-4-3-5-7-11/h3-7,12-15H,2,8-10,16H2,1H3/t12?,13?,14?,15-/m0/s1
InChIKeyQKIKNZRXAIDLKB-BOADVZGGSA-N
XLogP2.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 98160357
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832
2-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)acetonitrile
CID 138522849
(3aR,4R,7S,7aS)-2-benzyl-7-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 82385393
3-benzyl-3-azabicyclo[3.1.1]heptan-6-amine;dihydrochloride
CID 154704150
(3aR,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011511
(4S)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 71742370
(3S,4R)-1-benzyl-4-ethylpyrrolidin-3-ol
CID 57045077
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977345
(3R,4R)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977426
1-benzyl-4-ethylpyrrolidin-3-ol
CID 18939335

Frequently Asked Questions

What is the IUPAC name of (6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of (6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine (CID 174034273) is (6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for (6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for (6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine is CCC1C2CN(Cc3ccccc3)CC2[C@H]1N.
What is the InChIKey of (6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine?
The InChIKey is QKIKNZRXAIDLKB-BOADVZGGSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-12-13-9-17(10-14(13)15(12)16)8-11-6-4-3-5-7-11/h3-7,12-15H,2,8-10,16H2,1H3/t12?,13?,14?,15-/m0/s1.
What are the key properties of (6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine?
(6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine has a molecular weight of 230.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-benzyl-7-ethyl-3-azabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 174034273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).