N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

C19H33N — CID 103276820

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1=CC(C)CC(CNC2C3(C)CCC(C3)C2(C)C)C1
InChIInChI=1S/C19H33N/c1-13-8-14(2)10-15(9-13)12-20-17-18(3,4)16-6-7-19(17,5)11-16/h8,13,15-17,20H,6-7,9-12H2,1-5H3
InChIKeyRSJWDSFNVJGJCS-UHFFFAOYSA-N
MW275.48 g/mol
LogP4.78
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 103276820) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
PubChem CID103276820
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
SMILESCC1=CC(C)CC(CNC2C3(C)CCC(C3)C2(C)C)C1
InChIInChI=1S/C19H33N/c1-13-8-14(2)10-15(9-13)12-20-17-18(3,4)16-6-7-19(17,5)11-16/h8,13,15-17,20H,6-7,9-12H2,1-5H3
InChIKeyRSJWDSFNVJGJCS-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 54.78
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-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine (CID 103276820) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is CC1=CC(C)CC(CNC2C3(C)CCC(C3)C2(C)C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is RSJWDSFNVJGJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-13-8-14(2)10-15(9-13)12-20-17-18(3,4)16-6-7-19(17,5)11-16/h8,13,15-17,20H,6-7,9-12H2,1-5H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 275.48 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 103276820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).