1-ethenoxyhexane;hexan-1-amine

C14H31NO — CID 88695112

IUPAC1-ethenoxyhexane;hexan-1-amine
SMILESC=COCCCCCC.CCCCCCN
InChIInChI=1S/C8H16O.C6H15N/c1-3-5-6-7-8-9-4-2;1-2-3-4-5-6-7/h4H,2-3,5-8H2,1H3;2-7H2,1H3
InChIKeyPNHYOJOQIORLCU-UHFFFAOYSA-N
MW229.41 g/mol
LogP4.25
Rot. Bonds10

About 1-ethenoxyhexane;hexan-1-amine

1-ethenoxyhexane;hexan-1-amine (PubChem CID 88695112) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-ethenoxyhexane;hexan-1-amine.

Molecular Properties

Compound Name1-ethenoxyhexane;hexan-1-amine
PubChem CID88695112
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name1-ethenoxyhexane;hexan-1-amine
SMILESC=COCCCCCC.CCCCCCN
InChIInChI=1S/C8H16O.C6H15N/c1-3-5-6-7-8-9-4-2;1-2-3-4-5-6-7/h4H,2-3,5-8H2,1H3;2-7H2,1H3
InChIKeyPNHYOJOQIORLCU-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethenoxytriacontane
CID 14647805
1,4-bis(ethenoxy)butane;butane
CID 158192522
5-ethenoxy-N,N-dipentylpentan-1-amine
CID 139652992
1-ethenoxybutane;hydrate
CID 174447139
1-(2-ethenoxyethoxy)dodecane
CID 59950400
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]decane
CID 151662960
1,9-bis(ethenoxy)nonane
CID 21044784
1,16-bis(ethenoxy)hexadecane
CID 19877850
4-nonoxybutan-1-amine
CID 139664551
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 1-ethenoxyhexane;hexan-1-amine?
The IUPAC name of 1-ethenoxyhexane;hexan-1-amine (CID 88695112) is 1-ethenoxyhexane;hexan-1-amine.
What is the SMILES notation for 1-ethenoxyhexane;hexan-1-amine?
The canonical SMILES for 1-ethenoxyhexane;hexan-1-amine is C=COCCCCCC.CCCCCCN.
What is the InChIKey of 1-ethenoxyhexane;hexan-1-amine?
The InChIKey is PNHYOJOQIORLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C6H15N/c1-3-5-6-7-8-9-4-2;1-2-3-4-5-6-7/h4H,2-3,5-8H2,1H3;2-7H2,1H3.
What are the key properties of 1-ethenoxyhexane;hexan-1-amine?
1-ethenoxyhexane;hexan-1-amine has a molecular weight of 229.41 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyhexane;hexan-1-amine is sourced from PubChem (CID 88695112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).