(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine

C16H25N — CID 142547915

IUPAC(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine
SMILESC=C(C)/C=C\C(/C=C(C)\C=N\CCC)=C(C)C
InChIInChI=1S/C16H25N/c1-7-10-17-12-15(6)11-16(14(4)5)9-8-13(2)3/h8-9,11-12H,2,7,10H2,1,3-6H3/b9-8-,15-11+,17-12+
InChIKeyNIMRIULNTVIOLB-YQECMMIJSA-N
MW231.38 g/mol
LogP4.88
Rot. Bonds6

About (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine

(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine (PubChem CID 142547915) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine.

Molecular Properties

Compound Name(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine
PubChem CID142547915
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine
SMILESC=C(C)/C=C\C(/C=C(C)\C=N\CCC)=C(C)C
InChIInChI=1S/C16H25N/c1-7-10-17-12-15(6)11-16(14(4)5)9-8-13(2)3/h8-9,11-12H,2,7,10H2,1,3-6H3/b9-8-,15-11+,17-12+
InChIKeyNIMRIULNTVIOLB-YQECMMIJSA-N
XLogP4.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine with MolForge

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Related Compounds

2-methyl-N-pentylprop-2-en-1-imine
CID 169090203
(3Z)-5-ethenyl-2,6-dimethylhepta-1,3,5-triene
CID 153376191
(3Z,6E)-7-(bromomethyl)-2-methyl-5-propan-2-ylidenenona-1,3,6,8-tetraene
CID 88949201
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
(3Z)-2,5-dimethylhexa-1,3,5-triene;(3E)-3-fluoro-2,5-dimethylhexa-1,3,5-triene
CID 145172629
(3Z)-2-methyl-5-propan-2-ylidenenona-1,3-diene
CID 142561883
(E,2E)-2,4-dimethyl-N-[(E)-propylideneamino]penta-2,4-dien-1-imine
CID 123766491
2-methylhepta-1,3-diene
CID 54310621
(3Z)-2-chloro-5-methylhexa-1,3,5-triene;propane
CID 142924242
(3E)-2-methylhepta-1,3-diene
CID 12928201
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine?
The IUPAC name of (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine (CID 142547915) is (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine.
What is the SMILES notation for (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine?
The canonical SMILES for (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine is C=C(C)/C=C\C(/C=C(C)\C=N\CCC)=C(C)C.
What is the InChIKey of (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine?
The InChIKey is NIMRIULNTVIOLB-YQECMMIJSA-N. The full InChI is InChI=1S/C16H25N/c1-7-10-17-12-15(6)11-16(14(4)5)9-8-13(2)3/h8-9,11-12H,2,7,10H2,1,3-6H3/b9-8-,15-11+,17-12+.
What are the key properties of (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine?
(2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine has a molecular weight of 231.38 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2,7-dimethyl-4-propan-2-ylidene-N-propylocta-2,5,7-trien-1-imine is sourced from PubChem (CID 142547915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).