1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride

C8H18Cl2N2 — CID 127256087

IUPAC1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride
SMILESCN(C)C[C@]12CNCC1C2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-10(2)6-8-3-7(8)4-9-5-8;;/h7,9H,3-6H2,1-2H3;2*1H/t7?,8-;;/m0../s1
InChIKeyDWVATYCZEPRHMP-AEUOCKLGSA-N
MW213.15 g/mol
LogP1.00
Rot. Bonds2

About 1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride

1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride (PubChem CID 127256087) has the molecular formula C8H18Cl2N2 and a molecular weight of 213.15 g/mol. Its IUPAC name is 1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride
PubChem CID127256087
Molecular FormulaC8H18Cl2N2
Molecular Weight213.15 g/mol
Exact Mass212.08
IUPAC Name1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride
SMILESCN(C)C[C@]12CNCC1C2.Cl.Cl
InChIInChI=1S/C8H16N2.2ClH/c1-10(2)6-8-3-7(8)4-9-5-8;;/h7,9H,3-6H2,1-2H3;2*1H/t7?,8-;;/m0../s1
InChIKeyDWVATYCZEPRHMP-AEUOCKLGSA-N
XLogP1.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]-N-methylcarbamate
CID 98454271
1-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-(5-methyl-1H-imidazol-4-yl)ethanone;dihydrochloride
CID 154916494
(1R)-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-1-amine
CID 171036424
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-ylmethyl)-N-methylformamide
CID 19833406
1-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84777463
1-[(4-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84780048
3-azabicyclo[4.1.0]heptan-6-ylmethanol;hydrochloride
CID 86762676
[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 137336977
1-[(2-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84771998
4-(3-azabicyclo[3.1.0]hexan-1-ylmethoxy)phenol
CID 84734044
2-[3a-[(dimethylamino)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid;dihydrochloride
CID 154917186
1-(2-methylpropyl)-3-azabicyclo[3.2.0]heptane
CID 84763447

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride?
The IUPAC name of 1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride (CID 127256087) is 1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride.
What is the SMILES notation for 1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride?
The canonical SMILES for 1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride is CN(C)C[C@]12CNCC1C2.Cl.Cl.
What is the InChIKey of 1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride?
The InChIKey is DWVATYCZEPRHMP-AEUOCKLGSA-N. The full InChI is InChI=1S/C8H16N2.2ClH/c1-10(2)6-8-3-7(8)4-9-5-8;;/h7,9H,3-6H2,1-2H3;2*1H/t7?,8-;;/m0../s1.
What are the key properties of 1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride?
1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride has a molecular weight of 213.15 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3-azabicyclo[3.1.0]hexan-1-yl]-N,N-dimethylmethanamine;dihydrochloride is sourced from PubChem (CID 127256087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).