3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine

C13H23N — CID 138519610

IUPAC3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine
SMILESC=CC/N=C/CC(C)CCC=C(C)C
InChIInChI=1S/C13H23N/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h5,7,11,13H,1,6,8-10H2,2-4H3/b14-11+
InChIKeyJMQIPMYAGAHVSC-SDNWHVSQSA-N
MW193.33 g/mol
LogP4.02
Rot. Bonds7

About 3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine

3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine (PubChem CID 138519610) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine.

Molecular Properties

Compound Name3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine
PubChem CID138519610
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine
SMILESC=CC/N=C/CC(C)CCC=C(C)C
InChIInChI=1S/C13H23N/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h5,7,11,13H,1,6,8-10H2,2-4H3/b14-11+
InChIKeyJMQIPMYAGAHVSC-SDNWHVSQSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine 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

5,9-dimethyldeca-1,8-diene
CID 12578605
(6S)-6,10-dimethylundeca-1,9-dien-4-ol
CID 11030747
6,10-dimethylundeca-1,9-dien-4-ol
CID 11019804
(4S,6S)-6,10-dimethylundeca-1,9-dien-4-amine
CID 11954735
N-(3-ethoxybutyl)-3,7-dimethyloct-6-en-1-imine
CID 138518948
(6S,8E)-2,6-dimethyl-8-[tri(propan-2-yl)silylhydrazinylidene]oct-2-ene
CID 72722696
(5R)-5,9-dimethyldeca-1,8-dien-3-ol
CID 10986927
magnesium;(6S)-2,6-dimethyloct-2-ene;chloride
CID 164665719
(1E)-1-chloro-4,8-dimethylnona-1,7-diene
CID 138971565
(4R)-4,8-dimethyl-1,1-bis(methylsulfanyl)nona-1,7-diene
CID 11299561
(2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine
CID 138519204
2,6-dimethylhept-5-enal
CID 158364508

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine?
The IUPAC name of 3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine (CID 138519610) is 3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine.
What is the SMILES notation for 3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine?
The canonical SMILES for 3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine is C=CC/N=C/CC(C)CCC=C(C)C.
What is the InChIKey of 3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine?
The InChIKey is JMQIPMYAGAHVSC-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H23N/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h5,7,11,13H,1,6,8-10H2,2-4H3/b14-11+.
What are the key properties of 3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine?
3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine has a molecular weight of 193.33 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-prop-2-enyloct-6-en-1-imine is sourced from PubChem (CID 138519610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).