5-ethenoxy-N,N-dipentylpentan-1-amine

C17H35NO — CID 139652992

IUPAC5-ethenoxy-N,N-dipentylpentan-1-amine
SMILESC=COCCCCCN(CCCCC)CCCCC
InChIInChI=1S/C17H35NO/c1-4-7-10-14-18(15-11-8-5-2)16-12-9-13-17-19-6-3/h6H,3-5,7-17H2,1-2H3
InChIKeyKAKDRFUKBDHHQN-UHFFFAOYSA-N
MW269.47 g/mol
LogP5.00
Rot. Bonds15

About 5-ethenoxy-N,N-dipentylpentan-1-amine

5-ethenoxy-N,N-dipentylpentan-1-amine (PubChem CID 139652992) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 5-ethenoxy-N,N-dipentylpentan-1-amine.

Molecular Properties

Compound Name5-ethenoxy-N,N-dipentylpentan-1-amine
PubChem CID139652992
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name5-ethenoxy-N,N-dipentylpentan-1-amine
SMILESC=COCCCCCN(CCCCC)CCCCC
InChIInChI=1S/C17H35NO/c1-4-7-10-14-18(15-11-8-5-2)16-12-9-13-17-19-6-3/h6H,3-5,7-17H2,1-2H3
InChIKeyKAKDRFUKBDHHQN-UHFFFAOYSA-N
XLogP5.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
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
1-ethenoxyhexane;hexan-1-amine
CID 88695112
1-ethenoxybutane;hydrate
CID 174447139
1-(2-ethenoxyethoxy)dodecane
CID 59950400
1-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]decane
CID 151662960
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-dipentyltridecan-1-amine
CID 139723521
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227

Frequently Asked Questions

What is the IUPAC name of 5-ethenoxy-N,N-dipentylpentan-1-amine?
The IUPAC name of 5-ethenoxy-N,N-dipentylpentan-1-amine (CID 139652992) is 5-ethenoxy-N,N-dipentylpentan-1-amine.
What is the SMILES notation for 5-ethenoxy-N,N-dipentylpentan-1-amine?
The canonical SMILES for 5-ethenoxy-N,N-dipentylpentan-1-amine is C=COCCCCCN(CCCCC)CCCCC.
What is the InChIKey of 5-ethenoxy-N,N-dipentylpentan-1-amine?
The InChIKey is KAKDRFUKBDHHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-7-10-14-18(15-11-8-5-2)16-12-9-13-17-19-6-3/h6H,3-5,7-17H2,1-2H3.
What are the key properties of 5-ethenoxy-N,N-dipentylpentan-1-amine?
5-ethenoxy-N,N-dipentylpentan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 5.00, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenoxy-N,N-dipentylpentan-1-amine is sourced from PubChem (CID 139652992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).