(1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine

C9H17N — CID 55284909

IUPAC(1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine
SMILESCCC[C@@H]1C[C@@H]2C[C@@H]2[C@H]1N
InChIInChI=1S/C9H17N/c1-2-3-6-4-7-5-8(7)9(6)10/h6-9H,2-5,10H2,1H3/t6-,7-,8+,9+/m1/s1
InChIKeyAYDXJHFBHSVZQC-HXFLIBJXSA-N
MW139.24 g/mol
LogP1.77
Rot. Bonds2

About (1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine

(1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine (PubChem CID 55284909) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine.

Molecular Properties

Compound Name(1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine
PubChem CID55284909
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine
SMILESCCC[C@@H]1C[C@@H]2C[C@@H]2[C@H]1N
InChIInChI=1S/C9H17N/c1-2-3-6-4-7-5-8(7)9(6)10/h6-9H,2-5,10H2,1H3/t6-,7-,8+,9+/m1/s1
InChIKeyAYDXJHFBHSVZQC-HXFLIBJXSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine?
The IUPAC name of (1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine (CID 55284909) is (1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine.
What is the SMILES notation for (1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine?
The canonical SMILES for (1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine is CCC[C@@H]1C[C@@H]2C[C@@H]2[C@H]1N.
What is the InChIKey of (1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine?
The InChIKey is AYDXJHFBHSVZQC-HXFLIBJXSA-N. The full InChI is InChI=1S/C9H17N/c1-2-3-6-4-7-5-8(7)9(6)10/h6-9H,2-5,10H2,1H3/t6-,7-,8+,9+/m1/s1.
What are the key properties of (1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine?
(1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine has a molecular weight of 139.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,5S)-3-propylbicyclo[3.1.0]hexan-2-amine is sourced from PubChem (CID 55284909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).