(1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine

C22H33N — CID 146240318

IUPAC(1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine
SMILESC=C(C)/C=C(C)/C=C(N)/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C22H33N/c1-16(2)13-18(4)15-20(23)14-17(3)10-11-21-19(5)9-8-12-22(21,6)7/h10-11,13-15H,1,8-9,12,23H2,2-7H3/b11-10+,17-14+,18-13+,20-15-
InChIKeyQXNLRPSWQHSPDF-IEPAELGKSA-N
MW311.51 g/mol
LogP6.38
Rot. Bonds5

About (1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine

(1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine (PubChem CID 146240318) has the molecular formula C22H33N and a molecular weight of 311.51 g/mol. Its IUPAC name is (1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine.

Molecular Properties

Compound Name(1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine
PubChem CID146240318
Molecular FormulaC22H33N
Molecular Weight311.51 g/mol
Exact Mass311.26
IUPAC Name(1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine
SMILESC=C(C)/C=C(C)/C=C(N)/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C22H33N/c1-16(2)13-18(4)15-20(23)14-17(3)10-11-21-19(5)9-8-12-22(21,6)7/h10-11,13-15H,1,8-9,12,23H2,2-7H3/b11-10+,17-14+,18-13+,20-15-
InChIKeyQXNLRPSWQHSPDF-IEPAELGKSA-N
XLogP6.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine with MolForge

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Related Compounds

(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-amine
CID 171500349
2-[3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 54413330
2-[(1E,3E,5E,7E,9E)-3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
CID 14991237
3,7-dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,5,7-tetraen-5-ol
CID 87891406
1,3,3-trimethyl-2-[(1E,3E,5E,7E)-3,7,10-trimethyl-9-methylideneundeca-1,3,5,7-tetraenyl]cyclohexene
CID 167584948
2-[(E)-[(Z)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]guanidine
CID 92533713
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)(1,2-13C2)penta-2,4-dien-1-ol
CID 10609084
1,3,3-trimethyl-2-[(1Z,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
CID 54612003
(4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal
CID 148810051
1,3,3-trimethyl-2-[(1E,3E,5E)-3-methylocta-1,3,5,7-tetraenyl]cyclohexene
CID 10944614
(5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-one
CID 123976151
(3E,5E,7Z,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-one
CID 157286285

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine?
The IUPAC name of (1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine (CID 146240318) is (1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine.
What is the SMILES notation for (1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine?
The canonical SMILES for (1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine is C=C(C)/C=C(C)/C=C(N)/C=C(C)/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of (1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine?
The InChIKey is QXNLRPSWQHSPDF-IEPAELGKSA-N. The full InChI is InChI=1S/C22H33N/c1-16(2)13-18(4)15-20(23)14-17(3)10-11-21-19(5)9-8-12-22(21,6)7/h10-11,13-15H,1,8-9,12,23H2,2-7H3/b11-10+,17-14+,18-13+,20-15-.
What are the key properties of (1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine?
(1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine has a molecular weight of 311.51 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5Z,7E)-3,7,9-trimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-5-amine is sourced from PubChem (CID 146240318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).