[(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride

C13H20Cl2N2 — CID 171036079

IUPAC[(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride
SMILESCl.Cl.NC[C@]12CC1CCN2Cc1ccccc1
InChIInChI=1S/C13H18N2.2ClH/c14-10-13-8-12(13)6-7-15(13)9-11-4-2-1-3-5-11;;/h1-5,12H,6-10,14H2;2*1H/t12?,13-;;/m1../s1
InChIKeyLDTAQOXYTKIGGR-VCNBZBSISA-N
MW275.22 g/mol
LogP2.45
Rot. Bonds3

About [(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride

[(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride (PubChem CID 171036079) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is [(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride
PubChem CID171036079
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name[(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride
SMILESCl.Cl.NC[C@]12CC1CCN2Cc1ccccc1
InChIInChI=1S/C13H18N2.2ClH/c14-10-13-8-12(13)6-7-15(13)9-11-4-2-1-3-5-11;;/h1-5,12H,6-10,14H2;2*1H/t12?,13-;;/m1../s1
InChIKeyLDTAQOXYTKIGGR-VCNBZBSISA-N
XLogP2.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-2-benzyl-1-methyl-2-azabicyclo[3.1.0]hexane
CID 101450566
1-benzyl-2,2-dimethylpiperidine-4-carbonitrile
CID 117020253
(1-benzyl-4-cyclopropylpiperidin-4-yl)methanamine
CID 21036983
3-benzyl-3-azabicyclo[4.1.0]heptan-1-amine
CID 82658680
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178
1-benzyl-3-bromo-2,2-dimethylpyrrolidine
CID 130979463
1-benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
1-benzyl-2,2-difluoropyrrolidin-3-ol
CID 118095392
2-(1-benzyl-5,5-dimethylpyrrolidin-3-yl)ethanamine
CID 117018668
1-[(3R)-1-benzylpyrrolidin-3-yl]cyclopropan-1-amine
CID 11171961

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride?
The IUPAC name of [(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride (CID 171036079) is [(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride.
What is the SMILES notation for [(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride?
The canonical SMILES for [(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride is Cl.Cl.NC[C@]12CC1CCN2Cc1ccccc1.
What is the InChIKey of [(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride?
The InChIKey is LDTAQOXYTKIGGR-VCNBZBSISA-N. The full InChI is InChI=1S/C13H18N2.2ClH/c14-10-13-8-12(13)6-7-15(13)9-11-4-2-1-3-5-11;;/h1-5,12H,6-10,14H2;2*1H/t12?,13-;;/m1../s1.
What are the key properties of [(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride?
[(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride has a molecular weight of 275.22 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-benzyl-2-azabicyclo[3.1.0]hexan-1-yl]methanamine;dihydrochloride is sourced from PubChem (CID 171036079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).