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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,7-tetrahydro-1H-pyrido[3,4-c]azepine
CID 66579617
2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine
CID 88905588
3-(1-iminopropan-2-ylidene)-N,4-dimethyloct-4-en-2-amine
CID 90968257
N,3-dimethyl-5-(5-methyloct-4-en-4-yl)-2,3-dihydropyridin-2-amine
CID 91464468
3-(2,3-dihydropyridin-5-yl)-N-methylpropan-1-amine
CID 123487173
(Z)-N,7-dimethyl-6-(2-methyliminoethyl)-5-prop-1-enyloct-5-en-1-amine
CID 123691013
1-[(4Z)-4-hexa-2,4-dienylidene-2,3-dihydropyrrol-2-yl]ethanamine
CID 123865726
3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine
CID 123947708
(2E,4E)-4-ethenyl-2-methanimidoyl-N,3-dimethylhepta-2,4,6-trien-1-amine
CID 124186875
3-[(Z)-1-iminobut-2-en-2-yl]-N-methyl-3,4,7,8-tetrahydroisoquinolin-8-amine
CID 132186864
(Z)-6-methyl-4-methylidene-7-methyliminohept-5-en-1-amine
CID 134485431
(3E,5Z)-N-methyl-6-(methylideneamino)-3-propylhexa-3,5-dien-1-amine
CID 139471508

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).