(E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine

C16H33N — CID 44604049

IUPAC(E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine
SMILESCCN(CC)C/C=C/CC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H33N/c1-8-17(9-2)13-11-10-12-16(6,7)14-15(3,4)5/h10-11H,8-9,12-14H2,1-7H3/b11-10+
InChIKeyHCDZFLPMMARWIE-ZHACJKMWSA-N
MW239.45 g/mol
LogP4.74
Rot. Bonds7

About (E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine

(E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine (PubChem CID 44604049) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is (E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine
PubChem CID44604049
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name(E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine
SMILESCCN(CC)C/C=C/CC(C)(C)CC(C)(C)C
InChIInChI=1S/C16H33N/c1-8-17(9-2)13-11-10-12-16(6,7)14-15(3,4)5/h10-11H,8-9,12-14H2,1-7H3/b11-10+
InChIKeyHCDZFLPMMARWIE-ZHACJKMWSA-N
XLogP4.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N,N-diethyl-5,5,7,7-tetramethyloct-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

N,N-diethyl-3,5,5-trimethylhepta-2,6-dien-1-amine
CID 140780278
(E)-9-deuterio-7-(deuteriomethyl)-N,N-diethylnon-2-en-1-amine
CID 14783193
N,N-diethyl-5,5-dimethylhex-2-en-1-amine
CID 170847589
N,N-diethyl-3,7,7,11,11-pentamethyldodec-2-en-1-amine
CID 170848010
dimethyl-bis[(E)-5,5,7,7-tetramethyloct-2-enyl]azanium;trihydroxy(oxo)-lambda5-chlorane
CID 5477295
2-ethyl-N,N-bis[(2E)-octa-2,7-dienyl]hexan-1-amine
CID 10947963
(E)-N,N-dibutyl-5,5,7,7-tetramethyloct-2-en-1-amine
CID 11011888
(E)-N-butyl-5,5,7,7-tetramethyl-N-[(E)-5,5,7,7-tetramethyloct-2-enyl]oct-2-en-1-amine
CID 19839202
(2E,6E)-N,N-diethyl-9,9,11,11-tetramethyldodeca-2,6-dien-1-amine
CID 44604050
N,N,7-triethyl-3,11-dimethyltrideca-2,4,10-trien-1-amine
CID 53697344
N,N-diethyl 3,7,11-trimethyldodeca-2,4,10-trienylamine
CID 53837124
1-Di-n-butylamino-5,5,7,7-tetramethyl-2-octene
CID 53838469

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine?
The IUPAC name of (E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine (CID 44604049) is (E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine.
What is the SMILES notation for (E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine?
The canonical SMILES for (E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine is CCN(CC)C/C=C/CC(C)(C)CC(C)(C)C.
What is the InChIKey of (E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine?
The InChIKey is HCDZFLPMMARWIE-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H33N/c1-8-17(9-2)13-11-10-12-16(6,7)14-15(3,4)5/h10-11H,8-9,12-14H2,1-7H3/b11-10+.
What are the key properties of (E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine?
(E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-5,5,7,7-tetramethyloct-2-en-1-amine is sourced from PubChem (CID 44604049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).