(1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine

C22H35N — CID 146174461

IUPAC(1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine
SMILESC=C(C)/C=C\C(C)=C(C)\C=C(/C)C(=C)/C=C\N(C)C(CC)CC
InChIInChI=1S/C22H35N/c1-10-22(11-2)23(9)15-14-19(6)21(8)16-20(7)18(5)13-12-17(3)4/h12-16,22H,3,6,10-11H2,1-2,4-5,7-9H3/b13-12-,15-14-,20-18+,21-16+
InChIKeyBZCRZIQMJQXCFN-CVQROULQSA-N
MW313.53 g/mol
LogP6.59
Rot. Bonds9

About (1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine

(1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine (PubChem CID 146174461) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is (1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine.

Molecular Properties

Compound Name(1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine
PubChem CID146174461
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name(1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine
SMILESC=C(C)/C=C\C(C)=C(C)\C=C(/C)C(=C)/C=C\N(C)C(CC)CC
InChIInChI=1S/C22H35N/c1-10-22(11-2)23(9)15-14-19(6)21(8)16-20(7)18(5)13-12-17(3)4/h12-16,22H,3,6,10-11H2,1-2,4-5,7-9H3/b13-12-,15-14-,20-18+,21-16+
InChIKeyBZCRZIQMJQXCFN-CVQROULQSA-N
XLogP6.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine with MolForge

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Related Compounds

(2E,4Z)-N-hexan-3-yl-N,2,3,6-tetramethylhepta-2,4,6-trien-1-amine
CID 170706540
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
(3Z,6Z)-2,6-dimethyl-5-methylideneocta-1,3,6-triene
CID 166131805
2,9-dimethyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 123828527
(3Z)-N,N,5-trimethyl-2-methylidenehexa-3,5-dien-1-amine
CID 142124132
(3Z)-N,N-diethyl-5-methyl-2-methylidenehexa-3,5-dienamide
CID 156853441
ethane;(5Z,7Z)-2,5,7-trimethyl-4-methylidenedeca-2,5,7-triene
CID 172595101
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
ethane;(2E,4Z)-2,3,6-trimethylhepta-2,4,6-trien-1-amine
CID 145230343
(1Z,3Z)-2-ethyl-5-methylhexa-1,3,5-trien-1-amine
CID 89034156
(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
CID 144717288

Frequently Asked Questions

What is the IUPAC name of (1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine?
The IUPAC name of (1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine (CID 146174461) is (1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine.
What is the SMILES notation for (1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine?
The canonical SMILES for (1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine is C=C(C)/C=C\C(C)=C(C)\C=C(/C)C(=C)/C=C\N(C)C(CC)CC.
What is the InChIKey of (1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine?
The InChIKey is BZCRZIQMJQXCFN-CVQROULQSA-N. The full InChI is InChI=1S/C22H35N/c1-10-22(11-2)23(9)15-14-19(6)21(8)16-20(7)18(5)13-12-17(3)4/h12-16,22H,3,6,10-11H2,1-2,4-5,7-9H3/b13-12-,15-14-,20-18+,21-16+.
What are the key properties of (1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine?
(1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine has a molecular weight of 313.53 g/mol, XLogP of 6.59, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E,6E,8Z)-N,4,6,7,10-pentamethyl-3-methylidene-N-pentan-3-ylundeca-1,4,6,8,10-pentaen-1-amine is sourced from PubChem (CID 146174461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).