N,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine

C18H31N — CID 166941651

IUPACN,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine
SMILESCCCC1C2=C(CCCC2)C2CCCC1C2N(C)C
InChIInChI=1S/C18H31N/c1-4-8-13-14-9-5-6-10-15(14)17-12-7-11-16(13)18(17)19(2)3/h13,16-18H,4-12H2,1-3H3
InChIKeyHYCGZDFEXUSQCG-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.63
Rot. Bonds3

About N,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine

N,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine (PubChem CID 166941651) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine.

Molecular Properties

Compound NameN,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine
PubChem CID166941651
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine
SMILESCCCC1C2=C(CCCC2)C2CCCC1C2N(C)C
InChIInChI=1S/C18H31N/c1-4-8-13-14-9-5-6-10-15(14)17-12-7-11-16(13)18(17)19(2)3/h13,16-18H,4-12H2,1-3H3
InChIKeyHYCGZDFEXUSQCG-UHFFFAOYSA-N
XLogP4.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
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,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine?
The IUPAC name of N,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine (CID 166941651) is N,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine.
What is the SMILES notation for N,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine?
The canonical SMILES for N,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine is CCCC1C2=C(CCCC2)C2CCCC1C2N(C)C.
What is the InChIKey of N,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine?
The InChIKey is HYCGZDFEXUSQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-4-8-13-14-9-5-6-10-15(14)17-12-7-11-16(13)18(17)19(2)3/h13,16-18H,4-12H2,1-3H3.
What are the key properties of N,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine?
N,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine has a molecular weight of 261.45 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-propyltricyclo[7.3.1.02,7]tridec-2(7)-en-13-amine is sourced from PubChem (CID 166941651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).