1-(oxan-3-yl)-N-propyldecan-1-amine

C18H37NO — CID 65332318

IUPAC1-(oxan-3-yl)-N-propyldecan-1-amine
SMILESCCCCCCCCCC(NCCC)C1CCCOC1
InChIInChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-13-18(19-14-4-2)17-12-11-15-20-16-17/h17-19H,3-16H2,1-2H3
InChIKeyXMDIWDFJBPZZCK-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.92
Rot. Bonds12

About 1-(oxan-3-yl)-N-propyldecan-1-amine

1-(oxan-3-yl)-N-propyldecan-1-amine (PubChem CID 65332318) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-(oxan-3-yl)-N-propyldecan-1-amine.

Molecular Properties

Compound Name1-(oxan-3-yl)-N-propyldecan-1-amine
PubChem CID65332318
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-(oxan-3-yl)-N-propyldecan-1-amine
SMILESCCCCCCCCCC(NCCC)C1CCCOC1
InChIInChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-13-18(19-14-4-2)17-12-11-15-20-16-17/h17-19H,3-16H2,1-2H3
InChIKeyXMDIWDFJBPZZCK-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.92
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-(oxan-3-yl)-N-propyloct-7-en-1-amine
CID 107009211
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066
N-ethyl-1-(oxan-3-yl)pentan-1-amine
CID 65331760
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
4-methylsulfonyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 65333768
1-(oxan-3-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65333769
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-(oxolan-2-yl)-N-propylnonan-1-amine
CID 65328476
1-(3-methyloxan-4-yl)-N-propylheptan-1-amine
CID 114241913
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233
1-(oxan-3-yl)heptan-1-amine
CID 65331908

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-N-propyldecan-1-amine?
The IUPAC name of 1-(oxan-3-yl)-N-propyldecan-1-amine (CID 65332318) is 1-(oxan-3-yl)-N-propyldecan-1-amine.
What is the SMILES notation for 1-(oxan-3-yl)-N-propyldecan-1-amine?
The canonical SMILES for 1-(oxan-3-yl)-N-propyldecan-1-amine is CCCCCCCCCC(NCCC)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-N-propyldecan-1-amine?
The InChIKey is XMDIWDFJBPZZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-3-5-6-7-8-9-10-13-18(19-14-4-2)17-12-11-15-20-16-17/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-(oxan-3-yl)-N-propyldecan-1-amine?
1-(oxan-3-yl)-N-propyldecan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.92, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-N-propyldecan-1-amine is sourced from PubChem (CID 65332318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).