(2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine

C13H21N — CID 138519204

IUPAC(2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine
SMILESC=CC/N=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H21N/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h5,7,9,11H,1,6,8,10H2,2-4H3/b13-9+,14-11+
InChIKeyLZKWIINROUKQHN-IJFRVEDASA-N
MW191.32 g/mol
LogP3.94
Rot. Bonds6

About (2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine

(2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine (PubChem CID 138519204) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine.

Molecular Properties

Compound Name(2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine
PubChem CID138519204
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine
SMILESC=CC/N=C/C=C(\C)CCC=C(C)C
InChIInChI=1S/C13H21N/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h5,7,9,11H,1,6,8,10H2,2-4H3/b13-9+,14-11+
InChIKeyLZKWIINROUKQHN-IJFRVEDASA-N
XLogP3.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.94
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'}

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Related Compounds

(3E,7E)-4,8,12-trimethyltrideca-1,3,7,11-tetraene
CID 6443227
(2E)-3,7-dimethylocta-2,6-dienal;prop-2-enal
CID 87385613
3,7-dimethylocta-2,6-dienal
CID 8843
2-fluoro-5,9-dimethyldeca-2,4,8-triene
CID 73411750
(3E)-1,1-difluoro-4,8-dimethylnona-1,3,7-triene
CID 11148129
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
4-(3,7,11-trimethyldodeca-2,6,10-trienylideneamino)butanoic acid
CID 91124399
CID 175955047
CID 175955047

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine?
The IUPAC name of (2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine (CID 138519204) is (2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine.
What is the SMILES notation for (2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine?
The canonical SMILES for (2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine is C=CC/N=C/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine?
The InChIKey is LZKWIINROUKQHN-IJFRVEDASA-N. The full InChI is InChI=1S/C13H21N/c1-5-10-14-11-9-13(4)8-6-7-12(2)3/h5,7,9,11H,1,6,8,10H2,2-4H3/b13-9+,14-11+.
What are the key properties of (2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine?
(2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine has a molecular weight of 191.32 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethyl-N-prop-2-enylocta-2,6-dien-1-imine is sourced from PubChem (CID 138519204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).