(3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine

C18H35NO — CID 155402658

IUPAC(3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine
SMILESCCC(=CCC/C=C(/COC)C(CC)CN(C)C)CC
InChIInChI=1S/C18H35NO/c1-7-16(8-2)12-10-11-13-18(15-20-6)17(9-3)14-19(4)5/h12-13,17H,7-11,14-15H2,1-6H3/b18-13-
InChIKeySNXMVRUVDRKRRZ-AQTBWJFISA-N
MW281.48 g/mol
LogP4.67
Rot. Bonds11

About (3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine

(3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine (PubChem CID 155402658) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is (3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine.

Molecular Properties

Compound Name(3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine
PubChem CID155402658
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name(3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine
SMILESCCC(=CCC/C=C(/COC)C(CC)CN(C)C)CC
InChIInChI=1S/C18H35NO/c1-7-16(8-2)12-10-11-13-18(15-20-6)17(9-3)14-19(4)5/h12-13,17H,7-11,14-15H2,1-6H3/b18-13-
InChIKeySNXMVRUVDRKRRZ-AQTBWJFISA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine?
The IUPAC name of (3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine (CID 155402658) is (3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine.
What is the SMILES notation for (3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine?
The canonical SMILES for (3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine is CCC(=CCC/C=C(/COC)C(CC)CN(C)C)CC.
What is the InChIKey of (3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine?
The InChIKey is SNXMVRUVDRKRRZ-AQTBWJFISA-N. The full InChI is InChI=1S/C18H35NO/c1-7-16(8-2)12-10-11-13-18(15-20-6)17(9-3)14-19(4)5/h12-13,17H,7-11,14-15H2,1-6H3/b18-13-.
What are the key properties of (3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine?
(3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.67, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,8-diethyl-3-(methoxymethyl)-N,N-dimethyldeca-3,7-dien-1-amine is sourced from PubChem (CID 155402658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).