3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine

C8H16N2 — CID 84648563

IUPAC3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine
SMILESNCCCC1[C@H]2CCN[C@@H]12
InChIInChI=1S/C8H16N2/c9-4-1-2-6-7-3-5-10-8(6)7/h6-8,10H,1-5,9H2/t6?,7-,8+/m1/s1
InChIKeyDDMZSHPPXFEMAJ-VVXQKDJTSA-N
MW140.23 g/mol
LogP0.33
Rot. Bonds3

About 3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine

3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine (PubChem CID 84648563) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine.

Molecular Properties

Compound Name3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine
PubChem CID84648563
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine
SMILESNCCCC1[C@H]2CCN[C@@H]12
InChIInChI=1S/C8H16N2/c9-4-1-2-6-7-3-5-10-8(6)7/h6-8,10H,1-5,9H2/t6?,7-,8+/m1/s1
InChIKeyDDMZSHPPXFEMAJ-VVXQKDJTSA-N
XLogP0.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-7-methyl-2-azabicyclo[3.2.0]heptane
CID 138642368
3-[(1S,2S,3R,4S)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]propan-1-amine
CID 98524973
3-[(1R,6R)-2-azabicyclo[4.1.0]heptan-7-yl]propanoic acid
CID 84653490
3-[2-(3-aminopropyl)cyclohexyl]propan-1-amine
CID 67095749
3-(1,4-diazepan-2-yl)propan-1-amine
CID 173025017
4-(3-aminopropyl)cyclohexan-1-amine
CID 22292235
2-[3-(2,2-dimethylpropyl)pyrrolidin-2-yl]ethanamine
CID 82602050
3-cyclohexylpropan-1-amine;ethane
CID 143945055
3-(4-fluorocyclohexyl)propan-1-amine
CID 84731480
2-pyrrolidin-2-ylethanamine
CID 14030009
ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate
CID 130736595
2-[3-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]ethanamine
CID 82602222

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine?
The IUPAC name of 3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine (CID 84648563) is 3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine.
What is the SMILES notation for 3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine?
The canonical SMILES for 3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine is NCCCC1[C@H]2CCN[C@@H]12.
What is the InChIKey of 3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine?
The InChIKey is DDMZSHPPXFEMAJ-VVXQKDJTSA-N. The full InChI is InChI=1S/C8H16N2/c9-4-1-2-6-7-3-5-10-8(6)7/h6-8,10H,1-5,9H2/t6?,7-,8+/m1/s1.
What are the key properties of 3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine?
3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine has a molecular weight of 140.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-6-yl]propan-1-amine is sourced from PubChem (CID 84648563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).