(E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine

C14H29N — CID 14783193

IUPAC(E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine
SMILES[2H]CCC(C[2H])CCC/C=C/CN(CC)CC
InChIInChI=1S/C14H29N/c1-5-14(4)12-10-8-9-11-13-15(6-2)7-3/h9,11,14H,5-8,10,12-13H2,1-4H3/b11-9+/i1D,4D
InChIKeyQGUKRKOTFBJALQ-RSLFYTNVSA-N
MW213.41 g/mol
LogP4.10
Rot. Bonds11

About (E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine

(E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine (PubChem CID 14783193) has the molecular formula C14H29N and a molecular weight of 213.41 g/mol. Its IUPAC name is (E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine.

Molecular Properties

Compound Name(E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine
PubChem CID14783193
Molecular FormulaC14H29N
Molecular Weight213.41 g/mol
Exact Mass213.24
IUPAC Name(E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine
SMILES[2H]CCC(C[2H])CCC/C=C/CN(CC)CC
InChIInChI=1S/C14H29N/c1-5-14(4)12-10-8-9-11-13-15(6-2)7-3/h9,11,14H,5-8,10,12-13H2,1-4H3/b11-9+/i1D,4D
InChIKeyQGUKRKOTFBJALQ-RSLFYTNVSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
N,N-diethyl-3,7-dimethyloct-2-enylamine
CID 3016243
(Z)-4-but-3-enyl-7-fluoro-N-methyl-N-propyloct-5-en-1-amine
CID 134365806
N,N-diethyl-undeca-2Z,5Z-dienyl-amine
CID 88406226
(E)-N,N-diethyldec-2-en-1-amine
CID 11095912
[(Z)-dec-2-enyl]-diethyl-amine
CID 12632849
(E)-N,N-diethyl-6-(1-ethylalumolan-3-yl)hex-2-en-1-amine
CID 16705582
N,N-dimethyl-5-prop-2-enylnona-2,3-dien-1-amine
CID 85912140
CID 135046571
CID 135046571
N,N-Diethyl-3,7-dimethyloct-2-ene-1-amine
CID 6365440
N,N-diethyl-3,7,11-trimethyldodec-2-en-1-amine
CID 170847735
(1R,5S)-N,2-dimethyl-5-prop-1-en-2-yl-N-prop-2-enylcyclohex-2-en-1-amine
CID 10420497

Frequently Asked Questions

What is the IUPAC name of (E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine?
The IUPAC name of (E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine (CID 14783193) is (E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine.
What is the SMILES notation for (E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine?
The canonical SMILES for (E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine is [2H]CCC(C[2H])CCC/C=C/CN(CC)CC.
What is the InChIKey of (E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine?
The InChIKey is QGUKRKOTFBJALQ-RSLFYTNVSA-N. The full InChI is InChI=1S/C14H29N/c1-5-14(4)12-10-8-9-11-13-15(6-2)7-3/h9,11,14H,5-8,10,12-13H2,1-4H3/b11-9+/i1D,4D.
What are the key properties of (E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine?
(E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.10, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine is sourced from PubChem (CID 14783193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).