2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine

C15H31NO — CID 104668425

IUPAC2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
SMILESCCCCC(CC)CNCCCC1CCCO1
InChIInChI=1S/C15H31NO/c1-3-5-8-14(4-2)13-16-11-6-9-15-10-7-12-17-15/h14-16H,3-13H2,1-2H3
InChIKeyAPINGRJVGDNHQU-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds10

About 2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine

2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine (PubChem CID 104668425) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
PubChem CID104668425
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine
SMILESCCCCC(CC)CNCCCC1CCCO1
InChIInChI=1S/C15H31NO/c1-3-5-8-14(4-2)13-16-11-6-9-15-10-7-12-17-15/h14-16H,3-13H2,1-2H3
InChIKeyAPINGRJVGDNHQU-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-5-(oxolan-2-yl)-2-propylpentan-1-amine
CID 65166550
2-[4-(chloromethyl)hexyl]oxolane
CID 66034557
2-(9-ethylpentadecyl)oxetane
CID 173032138
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
2-ethyl-N-pentylhexan-1-amine
CID 43081963
5-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 107272097
2-tetradecyloxolane
CID 10683364
5-ethyl-N-methyl-1-(oxolan-2-yl)nonan-4-amine
CID 104993154
5-(oxolan-2-yl)-2-propylpentan-1-ol
CID 66058975
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076
N-[2-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine (CID 104668425) is 2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine is CCCCC(CC)CNCCCC1CCCO1.
What is the InChIKey of 2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine?
The InChIKey is APINGRJVGDNHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-5-8-14(4-2)13-16-11-6-9-15-10-7-12-17-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine?
2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(oxolan-2-yl)propyl]hexan-1-amine is sourced from PubChem (CID 104668425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).