1-(oxolan-2-yl)-N-propylnonan-1-amine

C16H33NO — CID 65328476

IUPAC1-(oxolan-2-yl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)C1CCCO1
InChIInChI=1S/C16H33NO/c1-3-5-6-7-8-9-11-15(17-13-4-2)16-12-10-14-18-16/h15-17H,3-14H2,1-2H3
InChIKeyJXRADHDWCSQRLI-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.28
Rot. Bonds11

About 1-(oxolan-2-yl)-N-propylnonan-1-amine

1-(oxolan-2-yl)-N-propylnonan-1-amine (PubChem CID 65328476) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-propylnonan-1-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-propylnonan-1-amine
PubChem CID65328476
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-(oxolan-2-yl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)C1CCCO1
InChIInChI=1S/C16H33NO/c1-3-5-6-7-8-9-11-15(17-13-4-2)16-12-10-14-18-16/h15-17H,3-14H2,1-2H3
InChIKeyJXRADHDWCSQRLI-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.28
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

1,4-bis(oxolan-2-yl)-N-propylbutan-1-amine
CID 65328878
N-methyl-1-(oxolan-2-yl)hexan-1-amine
CID 65331605
1-(1,4-dioxan-2-yl)-N-propylundecan-1-amine
CID 65352894
1-(oxan-2-yl)heptylhydrazine
CID 105293967
3-ethyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 82923076
3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 66037811
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318
3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65328870
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-propylnonan-1-amine?
The IUPAC name of 1-(oxolan-2-yl)-N-propylnonan-1-amine (CID 65328476) is 1-(oxolan-2-yl)-N-propylnonan-1-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-propylnonan-1-amine?
The canonical SMILES for 1-(oxolan-2-yl)-N-propylnonan-1-amine is CCCCCCCCC(NCCC)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-propylnonan-1-amine?
The InChIKey is JXRADHDWCSQRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-5-6-7-8-9-11-15(17-13-4-2)16-12-10-14-18-16/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-(oxolan-2-yl)-N-propylnonan-1-amine?
1-(oxolan-2-yl)-N-propylnonan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.28, 11 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-propylnonan-1-amine is sourced from PubChem (CID 65328476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).