1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine

C12H19N — CID 85397238

IUPAC1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine
SMILESCC1(C)C2CC=C(C3(N)CC3)C1C2
InChIInChI=1S/C12H19N/c1-11(2)8-3-4-9(10(11)7-8)12(13)5-6-12/h4,8,10H,3,5-7,13H2,1-2H3
InChIKeyIKMRLNWRFWSMRQ-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.47
Rot. Bonds1

About 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine

1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine (PubChem CID 85397238) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine
PubChem CID85397238
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine
SMILESCC1(C)C2CC=C(C3(N)CC3)C1C2
InChIInChI=1S/C12H19N/c1-11(2)8-3-4-9(10(11)7-8)12(13)5-6-12/h4,8,10H,3,5-7,13H2,1-2H3
InChIKeyIKMRLNWRFWSMRQ-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine?
The IUPAC name of 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine (CID 85397238) is 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine?
The canonical SMILES for 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine is CC1(C)C2CC=C(C3(N)CC3)C1C2.
What is the InChIKey of 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine?
The InChIKey is IKMRLNWRFWSMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-11(2)8-3-4-9(10(11)7-8)12(13)5-6-12/h4,8,10H,3,5-7,13H2,1-2H3.
What are the key properties of 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine?
1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)cyclopropan-1-amine is sourced from PubChem (CID 85397238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).