(1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine

C8H16N2 — CID 143715131

IUPAC(1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine
SMILESCC1C[C@@H]2CN(C)C[C@]12N
InChIInChI=1S/C8H16N2/c1-6-3-7-4-10(2)5-8(6,7)9/h6-7H,3-5,9H2,1-2H3/t6?,7-,8+/m1/s1
InChIKeyIESVYIALKRDXAN-VVXQKDJTSA-N
MW140.23 g/mol
LogP0.29
Rot. Bonds

About (1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine

(1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine (PubChem CID 143715131) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine.

Molecular Properties

Compound Name(1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine
PubChem CID143715131
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine
SMILESCC1C[C@@H]2CN(C)C[C@]12N
InChIInChI=1S/C8H16N2/c1-6-3-7-4-10(2)5-8(6,7)9/h6-7H,3-5,9H2,1-2H3/t6?,7-,8+/m1/s1
InChIKeyIESVYIALKRDXAN-VVXQKDJTSA-N
XLogP0.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1-methylpiperidin-3-yl)cyclopropan-1-amine
CID 84653235
(3aS,6aR)-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
CID 69172529
(4S)-1,3,3,4-tetramethylpyrrolidine
CID 168820541
(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 147184250
1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 58944885
5-methyl-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3a-amine
CID 143040281
ethane;3-methyl-1-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 142521754
1-[(3S,4R)-1,3,4-trimethylpyrrolidin-3-yl]ethanone
CID 130186895
1-(3a-hydroxy-2-methyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 170730118
1,3,4,4,5-pentamethylpiperidine
CID 18740724
1,3,5,6-tetramethyl-3-azabicyclo[3.1.0]hexane
CID 167503016
(3aS,6aR)-5-tert-butyl-2,3a-dimethyl-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 152807256

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine?
The IUPAC name of (1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine (CID 143715131) is (1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine.
What is the SMILES notation for (1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine?
The canonical SMILES for (1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine is CC1C[C@@H]2CN(C)C[C@]12N.
What is the InChIKey of (1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine?
The InChIKey is IESVYIALKRDXAN-VVXQKDJTSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-3-7-4-10(2)5-8(6,7)9/h6-7H,3-5,9H2,1-2H3/t6?,7-,8+/m1/s1.
What are the key properties of (1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine?
(1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3,7-dimethyl-3-azabicyclo[3.2.0]heptan-1-amine is sourced from PubChem (CID 143715131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).