N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine

C16H27N — CID 134895693

IUPACN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine
SMILESCC1(C)C2CC=C(CNC3CCCCC3)C1C2
InChIInChI=1S/C16H27N/c1-16(2)13-9-8-12(15(16)10-13)11-17-14-6-4-3-5-7-14/h8,13-15,17H,3-7,9-11H2,1-2H3
InChIKeyVVFPCHMWNRAVQD-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.90
Rot. Bonds3

About N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine

N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine (PubChem CID 134895693) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine
PubChem CID134895693
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine
SMILESCC1(C)C2CC=C(CNC3CCCCC3)C1C2
InChIInChI=1S/C16H27N/c1-16(2)13-9-8-12(15(16)10-13)11-17-14-6-4-3-5-7-14/h8,13-15,17H,3-7,9-11H2,1-2H3
InChIKeyVVFPCHMWNRAVQD-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.90
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 N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine?
The IUPAC name of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine (CID 134895693) is N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine is CC1(C)C2CC=C(CNC3CCCCC3)C1C2.
What is the InChIKey of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine?
The InChIKey is VVFPCHMWNRAVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-16(2)13-9-8-12(15(16)10-13)11-17-14-6-4-3-5-7-14/h8,13-15,17H,3-7,9-11H2,1-2H3.
What are the key properties of N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine?
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine has a molecular weight of 233.40 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]cyclohexanamine is sourced from PubChem (CID 134895693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).