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

C20H35N — CID 5326590

IUPAC(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine
SMILESCC1=C(CCC(C)C/C=C/C(C)CCN)C(C)(C)CC=C1
InChIInChI=1S/C20H35N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-7,9-10,16-17H,8,11-15,21H2,1-5H3/b9-6+
InChIKeyRODLTRXPKAZSEI-RMKNXTFCSA-N
MW289.51 g/mol
LogP5.64
Rot. Bonds8

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

(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine (PubChem CID 5326590) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine.

Molecular Properties

Compound Name(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine
PubChem CID5326590
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine
SMILESCC1=C(CCC(C)C/C=C/C(C)CCN)C(C)(C)CC=C1
InChIInChI=1S/C20H35N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-7,9-10,16-17H,8,11-15,21H2,1-5H3/b9-6+
InChIKeyRODLTRXPKAZSEI-RMKNXTFCSA-N
XLogP5.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine?
The IUPAC name of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine (CID 5326590) is (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine.
What is the SMILES notation for (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine?
The canonical SMILES for (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine is CC1=C(CCC(C)C/C=C/C(C)CCN)C(C)(C)CC=C1.
What is the InChIKey of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine?
The InChIKey is RODLTRXPKAZSEI-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H35N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-7,9-10,16-17H,8,11-15,21H2,1-5H3/b9-6+.
What are the key properties of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine?
(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)non-4-en-1-amine is sourced from PubChem (CID 5326590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).