N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine

C14H24N2 — CID 123736016

IUPACN-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine
SMILESC=CC(=C)C(CCC)=C(/C=N/C)CCNC
InChIInChI=1S/C14H24N2/c1-6-8-14(12(3)7-2)13(11-16-5)9-10-15-4/h7,11,15H,2-3,6,8-10H2,1,4-5H3/b14-13?,16-11+
InChIKeyOLJLWWITDVKDSU-FFIWORBZSA-N
MW220.36 g/mol
LogP3.14
Rot. Bonds8

About N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine

N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine (PubChem CID 123736016) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine.

Molecular Properties

Compound NameN-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine
PubChem CID123736016
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine
SMILESC=CC(=C)C(CCC)=C(/C=N/C)CCNC
InChIInChI=1S/C14H24N2/c1-6-8-14(12(3)7-2)13(11-16-5)9-10-15-4/h7,11,15H,2-3,6,8-10H2,1,4-5H3/b14-13?,16-11+
InChIKeyOLJLWWITDVKDSU-FFIWORBZSA-N
XLogP3.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine?
The IUPAC name of N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine (CID 123736016) is N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine.
What is the SMILES notation for N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine?
The canonical SMILES for N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine is C=CC(=C)C(CCC)=C(/C=N/C)CCNC.
What is the InChIKey of N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine?
The InChIKey is OLJLWWITDVKDSU-FFIWORBZSA-N. The full InChI is InChI=1S/C14H24N2/c1-6-8-14(12(3)7-2)13(11-16-5)9-10-15-4/h7,11,15H,2-3,6,8-10H2,1,4-5H3/b14-13?,16-11+.
What are the key properties of N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine?
N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-methylidene-3-(methyliminomethyl)-4-propylhepta-3,6-dien-1-amine is sourced from PubChem (CID 123736016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).