6-ethyldec-1-en-4-amine

C12H25N — CID 116660443

IUPAC6-ethyldec-1-en-4-amine
SMILESC=CCC(N)CC(CC)CCCC
InChIInChI=1S/C12H25N/c1-4-7-9-11(6-3)10-12(13)8-5-2/h5,11-12H,2,4,6-10,13H2,1,3H3
InChIKeyPWOUQQFALBAJHW-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.50
Rot. Bonds8

About 6-ethyldec-1-en-4-amine

6-ethyldec-1-en-4-amine (PubChem CID 116660443) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 6-ethyldec-1-en-4-amine.

Molecular Properties

Compound Name6-ethyldec-1-en-4-amine
PubChem CID116660443
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name6-ethyldec-1-en-4-amine
SMILESC=CCC(N)CC(CC)CCCC
InChIInChI=1S/C12H25N/c1-4-7-9-11(6-3)10-12(13)8-5-2/h5,11-12H,2,4,6-10,13H2,1,3H3
InChIKeyPWOUQQFALBAJHW-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 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 ≤ 53.50
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

(4S)-4-ethyloct-1-ene
CID 129373406
7-ethyl-3-methylundecan-5-amine
CID 115806452
1-cyclopentyl-4-ethyloctan-2-amine
CID 115806470
(5S)-3,5-diethylnonane;methane
CID 159387669
6-ethyl-2-methoxy-2-methyldecan-4-amine
CID 103024935
4-ethyloct-1-ene;hexanedioic acid
CID 175450276
ethene;4-ethylhex-1-ene
CID 159399050
4-prop-2-enylpentadec-1-ene
CID 54427529
17-prop-2-enyltetratriacontane
CID 173452630
6-ethyl-4-methyldecan-3-amine
CID 63562264
(4S)-6-methylhept-1-en-4-amine
CID 55284878
5,9-diethyl-7-(2-ethylpentyl)tridecane
CID 170533070

Frequently Asked Questions

What is the IUPAC name of 6-ethyldec-1-en-4-amine?
The IUPAC name of 6-ethyldec-1-en-4-amine (CID 116660443) is 6-ethyldec-1-en-4-amine.
What is the SMILES notation for 6-ethyldec-1-en-4-amine?
The canonical SMILES for 6-ethyldec-1-en-4-amine is C=CCC(N)CC(CC)CCCC.
What is the InChIKey of 6-ethyldec-1-en-4-amine?
The InChIKey is PWOUQQFALBAJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-7-9-11(6-3)10-12(13)8-5-2/h5,11-12H,2,4,6-10,13H2,1,3H3.
What are the key properties of 6-ethyldec-1-en-4-amine?
6-ethyldec-1-en-4-amine has a molecular weight of 183.34 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyldec-1-en-4-amine is sourced from PubChem (CID 116660443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).