N,4-diethyloct-1-en-3-amine

C12H25N — CID 105000765

IUPACN,4-diethyloct-1-en-3-amine
SMILESC=CC(NCC)C(CC)CCCC
InChIInChI=1S/C12H25N/c1-5-9-10-11(6-2)12(7-3)13-8-4/h7,11-13H,3,5-6,8-10H2,1-2,4H3
InChIKeySLQVKJPOTIJNRR-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.37
Rot. Bonds8

About N,4-diethyloct-1-en-3-amine

N,4-diethyloct-1-en-3-amine (PubChem CID 105000765) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,4-diethyloct-1-en-3-amine.

Molecular Properties

Compound NameN,4-diethyloct-1-en-3-amine
PubChem CID105000765
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,4-diethyloct-1-en-3-amine
SMILESC=CC(NCC)C(CC)CCCC
InChIInChI=1S/C12H25N/c1-5-9-10-11(6-2)12(7-3)13-8-4/h7,11-13H,3,5-6,8-10H2,1-2,4H3
InChIKeySLQVKJPOTIJNRR-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 83051951
N,5-diethylpentadecan-6-amine
CID 115831438
(3S,4R)-3,5-diethylnon-1-en-4-ol
CID 102096606
N,4-diethyloct-1-yn-3-amine
CID 104995536
5-ethyl-4-methylnon-1-ene
CID 22027489
4-ethyl-3-methyldodec-1-ene
CID 145405438
4,5-diethylnonane
CID 21188862
1-cyclobutyl-N,3-diethylheptan-2-amine
CID 115863541
3-ethylhept-1-ene
CID 12923943
3-ethylheptan-2-amine
CID 61000696
3-(dibromomethyl)heptane
CID 87164380
5,6-diethyldodecane
CID 90761715

Frequently Asked Questions

What is the IUPAC name of N,4-diethyloct-1-en-3-amine?
The IUPAC name of N,4-diethyloct-1-en-3-amine (CID 105000765) is N,4-diethyloct-1-en-3-amine.
What is the SMILES notation for N,4-diethyloct-1-en-3-amine?
The canonical SMILES for N,4-diethyloct-1-en-3-amine is C=CC(NCC)C(CC)CCCC.
What is the InChIKey of N,4-diethyloct-1-en-3-amine?
The InChIKey is SLQVKJPOTIJNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-9-10-11(6-2)12(7-3)13-8-4/h7,11-13H,3,5-6,8-10H2,1-2,4H3.
What are the key properties of N,4-diethyloct-1-en-3-amine?
N,4-diethyloct-1-en-3-amine has a molecular weight of 183.34 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyloct-1-en-3-amine is sourced from PubChem (CID 105000765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).