3-hexyl-N-propyloxan-4-amine

C14H29NO — CID 106469429

IUPAC3-hexyl-N-propyloxan-4-amine
SMILESCCCCCCC1COCCC1NCCC
InChIInChI=1S/C14H29NO/c1-3-5-6-7-8-13-12-16-11-9-14(13)15-10-4-2/h13-15H,3-12H2,1-2H3
InChIKeyMTHWLLLXIJKHFW-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About 3-hexyl-N-propyloxan-4-amine

3-hexyl-N-propyloxan-4-amine (PubChem CID 106469429) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3-hexyl-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-hexyl-N-propyloxan-4-amine
PubChem CID106469429
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3-hexyl-N-propyloxan-4-amine
SMILESCCCCCCC1COCCC1NCCC
InChIInChI=1S/C14H29NO/c1-3-5-6-7-8-13-12-16-11-9-14(13)15-10-4-2/h13-15H,3-12H2,1-2H3
InChIKeyMTHWLLLXIJKHFW-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
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

3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine
CID 106469455
3-[[cyclopropyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058724
4-methyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63403659
4-bromo-3-heptyloxane
CID 106471599
4-tert-butyl-2-pentyl-N-propylcyclohexan-1-amine
CID 63401586
3-[[methyl(pentan-3-yl)amino]methyl]-N-propyloxan-4-amine
CID 103058871
4-octyl-N-propylthiolan-3-amine
CID 83196109
3-(furan-3-ylmethyl)-N-propyloxan-4-amine
CID 106469611
N,N-dimethyl-1-[[4-(propylamino)oxan-3-yl]methyl]piperidin-4-amine
CID 103058865
3-[2-(2-nitrophenyl)ethyl]-N-propyloxan-4-amine
CID 106469499
3-[(3,4-dimethylphenyl)methyl]-N-propyloxan-4-amine
CID 106469556
[4-[[4-(propylamino)oxan-3-yl]methyl]morpholin-3-yl]methanol
CID 103060941

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-N-propyloxan-4-amine?
The IUPAC name of 3-hexyl-N-propyloxan-4-amine (CID 106469429) is 3-hexyl-N-propyloxan-4-amine.
What is the SMILES notation for 3-hexyl-N-propyloxan-4-amine?
The canonical SMILES for 3-hexyl-N-propyloxan-4-amine is CCCCCCC1COCCC1NCCC.
What is the InChIKey of 3-hexyl-N-propyloxan-4-amine?
The InChIKey is MTHWLLLXIJKHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-5-6-7-8-13-12-16-11-9-14(13)15-10-4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 3-hexyl-N-propyloxan-4-amine?
3-hexyl-N-propyloxan-4-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-N-propyloxan-4-amine is sourced from PubChem (CID 106469429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).