(4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine

C20H33N — CID 23631920

IUPAC(4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine
SMILESCC1=C(CC/C(C)=C/C=C/C(C)CCN)C(C)(C)CC=C1
InChIInChI=1S/C20H33N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-10,17H,11-15,21H2,1-5H3/b9-6+,16-8+
InChIKeyFVNZWPVEFMMMSL-HDNAFYBMSA-N
MW287.49 g/mol
LogP5.56
Rot. Bonds7

About (4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine

(4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine (PubChem CID 23631920) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is (4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine
PubChem CID23631920
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name(4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine
SMILESCC1=C(CC/C(C)=C/C=C/C(C)CCN)C(C)(C)CC=C1
InChIInChI=1S/C20H33N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-10,17H,11-15,21H2,1-5H3/b9-6+,16-8+
InChIKeyFVNZWPVEFMMMSL-HDNAFYBMSA-N
XLogP5.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine?
The IUPAC name of (4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine (CID 23631920) is (4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine.
What is the SMILES notation for (4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine?
The canonical SMILES for (4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine is CC1=C(CC/C(C)=C/C=C/C(C)CCN)C(C)(C)CC=C1.
What is the InChIKey of (4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine?
The InChIKey is FVNZWPVEFMMMSL-HDNAFYBMSA-N. The full InChI is InChI=1S/C20H33N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-10,17H,11-15,21H2,1-5H3/b9-6+,16-8+.
What are the key properties of (4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine?
(4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-4,6-dien-1-amine is sourced from PubChem (CID 23631920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).