1-(oxolan-2-yl)-N-propyloctan-3-amine

C15H31NO — CID 115837005

IUPAC1-(oxolan-2-yl)-N-propyloctan-3-amine
SMILESCCCCCC(CCC1CCCO1)NCCC
InChIInChI=1S/C15H31NO/c1-3-5-6-8-14(16-12-4-2)10-11-15-9-7-13-17-15/h14-16H,3-13H2,1-2H3
InChIKeyGPAHUQYLFPZKPV-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.89
Rot. Bonds10

About 1-(oxolan-2-yl)-N-propyloctan-3-amine

1-(oxolan-2-yl)-N-propyloctan-3-amine (PubChem CID 115837005) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-propyloctan-3-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-propyloctan-3-amine
PubChem CID115837005
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(oxolan-2-yl)-N-propyloctan-3-amine
SMILESCCCCCC(CCC1CCCO1)NCCC
InChIInChI=1S/C15H31NO/c1-3-5-6-8-14(16-12-4-2)10-11-15-9-7-13-17-15/h14-16H,3-13H2,1-2H3
InChIKeyGPAHUQYLFPZKPV-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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-(oxolan-2-yl)ethyl]undecan-6-amine
CID 63452863
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
6-(oxolan-2-yl)-1-propoxy-N-propylhexan-3-amine
CID 105156636
6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
CID 115820960
1-cyclopentyl-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 104993245
1-(2,2-difluoroethoxy)-6-(oxolan-2-yl)-N-propylhexan-3-amine
CID 103149889
5-(oxolan-2-yl)-1-propoxy-N-propylpentan-2-amine
CID 65164347
4-(oxolan-2-yl)-N-propyl-1-(thian-4-yl)butan-2-amine
CID 105156823
1-(oxan-2-yl)-N-propylhex-5-en-3-amine
CID 115815083

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-propyloctan-3-amine?
The IUPAC name of 1-(oxolan-2-yl)-N-propyloctan-3-amine (CID 115837005) is 1-(oxolan-2-yl)-N-propyloctan-3-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-propyloctan-3-amine?
The canonical SMILES for 1-(oxolan-2-yl)-N-propyloctan-3-amine is CCCCCC(CCC1CCCO1)NCCC.
What is the InChIKey of 1-(oxolan-2-yl)-N-propyloctan-3-amine?
The InChIKey is GPAHUQYLFPZKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-5-6-8-14(16-12-4-2)10-11-15-9-7-13-17-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-(oxolan-2-yl)-N-propyloctan-3-amine?
1-(oxolan-2-yl)-N-propyloctan-3-amine has a molecular weight of 241.42 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-propyloctan-3-amine is sourced from PubChem (CID 115837005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).