5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine

C9H18N2 — CID 164943246

IUPAC5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine
SMILESCC(C)C12CCN1CC(N)C2
InChIInChI=1S/C9H18N2/c1-7(2)9-3-4-11(9)6-8(10)5-9/h7-8H,3-6,10H2,1-2H3
InChIKeyWSTPOKMSDYEXBG-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.82
Rot. Bonds1

About 5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine

5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine (PubChem CID 164943246) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine.

Molecular Properties

Compound Name5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine
PubChem CID164943246
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine
SMILESCC(C)C12CCN1CC(N)C2
InChIInChI=1S/C9H18N2/c1-7(2)9-3-4-11(9)6-8(10)5-9/h7-8H,3-6,10H2,1-2H3
InChIKeyWSTPOKMSDYEXBG-UHFFFAOYSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R,7S)-7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172507
(1S,5R,6S)-6-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172512
(1S,5R,6R)-6-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172533
(1R,5R)-7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 143715110
(1S,5R)-6-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 143715146
[7-(Fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium
CID 163667439
(3-Fluoro-7-methyl-1-azabicyclo[3.2.0]heptan-5-yl)methanamine
CID 169849806
1,4,6-Trimethyln-(2-pyrrolidinylethyl)-1,4-diazepane-6-amine
CID 171904768
7-(Fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 77610948
2,2,4,4,7-Pentamethyl-3,6-diazabicyclo[3.2.0]heptane
CID 20683174
3-Hydroxy-2,2,4,4,7-pentamethyl-3,6-diazabicyclo[3.2.0]heptane
CID 20683176
3-Hydroxy-2,2,4,4,7-pentamethyl-6-oxido-3-aza-6-azoniabicyclo[3.2.0]heptane
CID 20683177

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine?
The IUPAC name of 5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine (CID 164943246) is 5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine.
What is the SMILES notation for 5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine?
The canonical SMILES for 5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine is CC(C)C12CCN1CC(N)C2.
What is the InChIKey of 5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine?
The InChIKey is WSTPOKMSDYEXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)9-3-4-11(9)6-8(10)5-9/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine?
5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine has a molecular weight of 154.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-azabicyclo[3.2.0]heptan-3-amine is sourced from PubChem (CID 164943246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).