N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine

C14H27N — CID 123459524

IUPACN,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine
SMILESC=CC(=C)CC(C(C)CC)N(C)CCC
InChIInChI=1S/C14H27N/c1-7-10-15(6)14(13(5)9-3)11-12(4)8-2/h8,13-14H,2,4,7,9-11H2,1,3,5-6H3
InChIKeyIPPMUNAFZKIJNF-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.88
Rot. Bonds8

About N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine

N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine (PubChem CID 123459524) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine.

Molecular Properties

Compound NameN,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine
PubChem CID123459524
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine
SMILESC=CC(=C)CC(C(C)CC)N(C)CCC
InChIInChI=1S/C14H27N/c1-7-10-15(6)14(13(5)9-3)11-12(4)8-2/h8,13-14H,2,4,7,9-11H2,1,3,5-6H3
InChIKeyIPPMUNAFZKIJNF-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine?
The IUPAC name of N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine (CID 123459524) is N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine.
What is the SMILES notation for N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine?
The canonical SMILES for N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine is C=CC(=C)CC(C(C)CC)N(C)CCC.
What is the InChIKey of N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine?
The InChIKey is IPPMUNAFZKIJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-7-10-15(6)14(13(5)9-3)11-12(4)8-2/h8,13-14H,2,4,7,9-11H2,1,3,5-6H3.
What are the key properties of N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine?
N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine has a molecular weight of 209.38 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-6-methylidene-N-propyloct-7-en-4-amine is sourced from PubChem (CID 123459524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).