(5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine

C7H14N2 — CID 167261950

IUPAC(5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCNC1C2CN(C)C[C@H]21
InChIInChI=1S/C7H14N2/c1-8-7-5-3-9(2)4-6(5)7/h5-8H,3-4H2,1-2H3/t5-,6?,7?/m1/s1
InChIKeyCUNZVFAUPGLFEA-GRQBKTHUSA-N
MW126.20 g/mol
LogP-0.23
Rot. Bonds1

About (5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine

(5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 167261950) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID167261950
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCNC1C2CN(C)C[C@H]21
InChIInChI=1S/C7H14N2/c1-8-7-5-3-9(2)4-6(5)7/h5-8H,3-4H2,1-2H3/t5-,6?,7?/m1/s1
InChIKeyCUNZVFAUPGLFEA-GRQBKTHUSA-N
XLogP-0.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 122435320
N-methyl-1-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methanamine
CID 58639098
N,3-dimethyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 45121909
N,5-dimethyl-2,3,3a,4,6,6a-hexahydrothieno[2,3-c]pyrrol-3-amine
CID 138719481
N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)prop-2-enamide
CID 155732764
N,2-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 59398149
3,6-dimethyl-3-azabicyclo[3.1.0]hexane;ethane
CID 178147119
N,1,4-trimethylpyrrolidin-3-amine
CID 123430116
3-methyl-3-azabicyclo[3.1.0]hexane;N-methylmethanamine
CID 142484502
(5S)-N,1,5-trimethylpiperidin-3-amine
CID 174025014
tert-butyl N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)carbamate;molecular hydrogen
CID 156824590
(3R,4R)-4-methoxy-N,1-dimethylpyrrolidin-3-amine
CID 89161776

Frequently Asked Questions

What is the IUPAC name of (5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine (CID 167261950) is (5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine is CNC1C2CN(C)C[C@H]21.
What is the InChIKey of (5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is CUNZVFAUPGLFEA-GRQBKTHUSA-N. The full InChI is InChI=1S/C7H14N2/c1-8-7-5-3-9(2)4-6(5)7/h5-8H,3-4H2,1-2H3/t5-,6?,7?/m1/s1.
What are the key properties of (5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine?
(5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 126.20 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N,3-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 167261950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).