(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine

C18H21N — CID 142405932

IUPAC(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
SMILESC=C/C=C\C(=C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)N
InChIInChI=1S/C18H21N/c1-7-8-9-14(2)15(3)10-11-16(4)17(5)12-13-18(6)19/h7-13H,1-6,19H2/b9-8-,11-10-,13-12-
InChIKeyPCCXLLHSZTUIJS-MDQONWKKSA-N
MW251.37 g/mol
LogP4.54
Rot. Bonds8

About (3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine

(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine (PubChem CID 142405932) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine.

Molecular Properties

Compound Name(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
PubChem CID142405932
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine
SMILESC=C/C=C\C(=C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)N
InChIInChI=1S/C18H21N/c1-7-8-9-14(2)15(3)10-11-16(4)17(5)12-13-18(6)19/h7-13H,1-6,19H2/b9-8-,11-10-,13-12-
InChIKeyPCCXLLHSZTUIJS-MDQONWKKSA-N
XLogP4.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine with MolForge

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Related Compounds

(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
(3Z,7Z)-2-fluoro-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143982603
(4Z)-6-amino-3-methylidenehepta-4,6-dien-2-one
CID 134431459
(3Z,7Z,11Z)-2-methyl-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaene
CID 143476273
2-methylidenehexa-3,5-dienoic acid;hydrate
CID 87513549
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
ethane;(2Z)-penta-2,4-dienamide
CID 143902044
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
ethane;(3Z,6E)-6-ethyl-5-methylidenenona-1,3,6,8-tetraen-2-amine
CID 142290491
(3Z,7Z)-2,3-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane
CID 145064081
(3Z,7Z,11Z)-7,8-difluoro-2,5,6,9,10-pentamethylidenetetradeca-3,7,11,13-tetraen-1-ol
CID 144676255

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine?
The IUPAC name of (3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine (CID 142405932) is (3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine.
What is the SMILES notation for (3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine?
The canonical SMILES for (3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine is C=C/C=C\C(=C)C(=C)/C=C\C(=C)C(=C)/C=C\C(=C)N.
What is the InChIKey of (3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine?
The InChIKey is PCCXLLHSZTUIJS-MDQONWKKSA-N. The full InChI is InChI=1S/C18H21N/c1-7-8-9-14(2)15(3)10-11-16(4)17(5)12-13-18(6)19/h7-13H,1-6,19H2/b9-8-,11-10-,13-12-.
What are the key properties of (3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine?
(3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine has a molecular weight of 251.37 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z,11Z)-5,6,9,10-tetramethylidenetetradeca-1,3,7,11,13-pentaen-2-amine is sourced from PubChem (CID 142405932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).