4-ethenyldecane;octan-1-amine

C20H43N — CID 177360659

IUPAC4-ethenyldecane;octan-1-amine
SMILESC=CC(CCC)CCCCCC.CCCCCCCCN
InChIInChI=1S/C12H24.C8H19N/c1-4-7-8-9-11-12(6-3)10-5-2;1-2-3-4-5-6-7-8-9/h6,12H,3-5,7-11H2,1-2H3;2-9H2,1H3
InChIKeyNORNQQGETPATNJ-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.86
Rot. Bonds14

About 4-ethenyldecane;octan-1-amine

4-ethenyldecane;octan-1-amine (PubChem CID 177360659) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is 4-ethenyldecane;octan-1-amine.

Molecular Properties

Compound Name4-ethenyldecane;octan-1-amine
PubChem CID177360659
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC Name4-ethenyldecane;octan-1-amine
SMILESC=CC(CCC)CCCCCC.CCCCCCCCN
InChIInChI=1S/C12H24.C8H19N/c1-4-7-8-9-11-12(6-3)10-5-2;1-2-3-4-5-6-7-8-9/h6,12H,3-5,7-11H2,1-2H3;2-9H2,1H3
InChIKeyNORNQQGETPATNJ-UHFFFAOYSA-N
XLogP6.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-ethenylnonadecane
CID 57244946
ethane;9-ethenylheptadecane;octane
CID 168985515
(3R)-3-ethyloct-1-ene
CID 50898077
7-amino-2-ethenylheptane-1-thiol
CID 166703636
octadecane-1,5-diamine
CID 154229011
nonadecane-1,13-diamine
CID 102135569
undecane-1,6-diamine
CID 18419788
5-hexyldodecan-1-amine
CID 129015386
9,10-dioctylhenicosan-1-amine
CID 123803716
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
butane-1,4-diamine;hexan-1-amine
CID 162097736

Frequently Asked Questions

What is the IUPAC name of 4-ethenyldecane;octan-1-amine?
The IUPAC name of 4-ethenyldecane;octan-1-amine (CID 177360659) is 4-ethenyldecane;octan-1-amine.
What is the SMILES notation for 4-ethenyldecane;octan-1-amine?
The canonical SMILES for 4-ethenyldecane;octan-1-amine is C=CC(CCC)CCCCCC.CCCCCCCCN.
What is the InChIKey of 4-ethenyldecane;octan-1-amine?
The InChIKey is NORNQQGETPATNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.C8H19N/c1-4-7-8-9-11-12(6-3)10-5-2;1-2-3-4-5-6-7-8-9/h6,12H,3-5,7-11H2,1-2H3;2-9H2,1H3.
What are the key properties of 4-ethenyldecane;octan-1-amine?
4-ethenyldecane;octan-1-amine has a molecular weight of 297.57 g/mol, XLogP of 6.86, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyldecane;octan-1-amine is sourced from PubChem (CID 177360659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).