(3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine

C18H35N — CID 155021843

IUPAC(3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine
SMILESC=C(/C=C(\C)C(C)(C)CC(C)(C)C(C)C)NC(C)C
InChIInChI=1S/C18H35N/c1-13(2)17(7,8)12-18(9,10)15(5)11-16(6)19-14(3)4/h11,13-14,19H,6,12H2,1-5,7-10H3/b15-11+
InChIKeyFHEQRROIZFLGEL-RVDMUPIBSA-N
MW265.48 g/mol
LogP5.54
Rot. Bonds7

About (3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine

(3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine (PubChem CID 155021843) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is (3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine
PubChem CID155021843
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name(3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine
SMILESC=C(/C=C(\C)C(C)(C)CC(C)(C)C(C)C)NC(C)C
InChIInChI=1S/C18H35N/c1-13(2)17(7,8)12-18(9,10)15(5)11-16(6)19-14(3)4/h11,13-14,19H,6,12H2,1-5,7-10H3/b15-11+
InChIKeyFHEQRROIZFLGEL-RVDMUPIBSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine?
The IUPAC name of (3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine (CID 155021843) is (3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine.
What is the SMILES notation for (3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine?
The canonical SMILES for (3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine is C=C(/C=C(\C)C(C)(C)CC(C)(C)C(C)C)NC(C)C.
What is the InChIKey of (3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine?
The InChIKey is FHEQRROIZFLGEL-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H35N/c1-13(2)17(7,8)12-18(9,10)15(5)11-16(6)19-14(3)4/h11,13-14,19H,6,12H2,1-5,7-10H3/b15-11+.
What are the key properties of (3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine?
(3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine has a molecular weight of 265.48 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,5,5,7,7,8-hexamethyl-N-propan-2-ylnona-1,3-dien-2-amine is sourced from PubChem (CID 155021843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).