4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine

C14H27N — CID 138616100

IUPAC4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine
SMILESC=CCC(C=C)(CCC)CCCN(C)C
InChIInChI=1S/C14H27N/c1-6-10-14(8-3,11-7-2)12-9-13-15(4)5/h6,8H,1,3,7,9-13H2,2,4-5H3
InChIKeyIOLQEBIFILVMJC-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.88
Rot. Bonds9

About 4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine

4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine (PubChem CID 138616100) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine.

Molecular Properties

Compound Name4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine
PubChem CID138616100
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine
SMILESC=CCC(C=C)(CCC)CCCN(C)C
InChIInChI=1S/C14H27N/c1-6-10-14(8-3,11-7-2)12-9-13-15(4)5/h6,8H,1,3,7,9-13H2,2,4-5H3
InChIKeyIOLQEBIFILVMJC-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.88
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 4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine?
The IUPAC name of 4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine (CID 138616100) is 4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine.
What is the SMILES notation for 4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine?
The canonical SMILES for 4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine is C=CCC(C=C)(CCC)CCCN(C)C.
What is the InChIKey of 4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine?
The InChIKey is IOLQEBIFILVMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-10-14(8-3,11-7-2)12-9-13-15(4)5/h6,8H,1,3,7,9-13H2,2,4-5H3.
What are the key properties of 4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine?
4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.88, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,N-dimethyl-4-propylhept-6-en-1-amine is sourced from PubChem (CID 138616100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).