N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine

C12H23N — CID 130466035

IUPACN,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine
SMILESCC(C)NC1C2CC(C(C)C)CC21
InChIInChI=1S/C12H23N/c1-7(2)9-5-10-11(6-9)12(10)13-8(3)4/h7-13H,5-6H2,1-4H3
InChIKeyJLCBHPBINWZNER-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.66
Rot. Bonds3

About N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine

N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine (PubChem CID 130466035) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine
PubChem CID130466035
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine
SMILESCC(C)NC1C2CC(C(C)C)CC21
InChIInChI=1S/C12H23N/c1-7(2)9-5-10-11(6-9)12(10)13-8(3)4/h7-13H,5-6H2,1-4H3
InChIKeyJLCBHPBINWZNER-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine (CID 130466035) is N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine is CC(C)NC1C2CC(C(C)C)CC21.
What is the InChIKey of N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine?
The InChIKey is JLCBHPBINWZNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-7(2)9-5-10-11(6-9)12(10)13-8(3)4/h7-13H,5-6H2,1-4H3.
What are the key properties of N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine?
N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine has a molecular weight of 181.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-di(propan-2-yl)bicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 130466035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).