(6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine

C11H21N — CID 159111888

IUPAC(6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine
SMILESCCCC1CCC2(NC)C(C)C12
InChIInChI=1S/C11H21N/c1-4-5-9-6-7-11(12-3)8(2)10(9)11/h8-10,12H,4-7H2,1-3H3
InChIKeyKEPJDSMKEHPSSV-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds3

About (6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine

(6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine (PubChem CID 159111888) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine.

Molecular Properties

Compound Name(6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine
PubChem CID159111888
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine
SMILESCCCC1CCC2(NC)C(C)C12
InChIInChI=1S/C11H21N/c1-4-5-9-6-7-11(12-3)8(2)10(9)11/h8-10,12H,4-7H2,1-3H3
InChIKeyKEPJDSMKEHPSSV-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine?
The IUPAC name of (6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine (CID 159111888) is (6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine.
What is the SMILES notation for (6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine?
The canonical SMILES for (6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine is CCCC1CCC2(NC)C(C)C12.
What is the InChIKey of (6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine?
The InChIKey is KEPJDSMKEHPSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-5-9-6-7-11(12-3)8(2)10(9)11/h8-10,12H,4-7H2,1-3H3.
What are the key properties of (6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine?
(6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N,6-dimethyl-4-propylbicyclo[3.1.0]hexan-1-amine is sourced from PubChem (CID 159111888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).