3-heptoxy-N-propylheptan-4-amine

C17H37NO — CID 63474937

IUPAC3-heptoxy-N-propylheptan-4-amine
SMILESCCCCCCCOC(CC)C(CCC)NCCC
InChIInChI=1S/C17H37NO/c1-5-9-10-11-12-15-19-17(8-4)16(13-6-2)18-14-7-3/h16-18H,5-15H2,1-4H3
InChIKeyARSNYOUBZKATOV-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.92
Rot. Bonds14

About 3-heptoxy-N-propylheptan-4-amine

3-heptoxy-N-propylheptan-4-amine (PubChem CID 63474937) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 3-heptoxy-N-propylheptan-4-amine.

Molecular Properties

Compound Name3-heptoxy-N-propylheptan-4-amine
PubChem CID63474937
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name3-heptoxy-N-propylheptan-4-amine
SMILESCCCCCCCOC(CC)C(CCC)NCCC
InChIInChI=1S/C17H37NO/c1-5-9-10-11-12-15-19-17(8-4)16(13-6-2)18-14-7-3/h16-18H,5-15H2,1-4H3
InChIKeyARSNYOUBZKATOV-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
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

3-ethoxy-N-propyltridecan-4-amine
CID 116717144
4-ethoxy-N-propyltetradecan-5-amine
CID 116718264
3-(2-cyclobutylethoxy)-N-propylheptan-4-amine
CID 106201007
1-decoxy-N-propylpropan-1-amine
CID 173331192
3-ethoxy-N-ethylundecan-4-amine
CID 116716862
1-(1-fluorobutoxy)heptane
CID 87417089
3-methyl-N-propylhexadecan-4-amine
CID 63717053
2-ethoxy-N-propylnonan-3-amine
CID 64532611
N,4-dipropyldodecan-5-amine
CID 115832095
N-butyl-1-pentoxybutan-1-amine
CID 88850312
N-ethyl-3-[2-(2-methylpropoxy)ethoxy]heptan-4-amine
CID 106447191
4-tetradecoxyhexane-1,3-diamine
CID 22385509

Frequently Asked Questions

What is the IUPAC name of 3-heptoxy-N-propylheptan-4-amine?
The IUPAC name of 3-heptoxy-N-propylheptan-4-amine (CID 63474937) is 3-heptoxy-N-propylheptan-4-amine.
What is the SMILES notation for 3-heptoxy-N-propylheptan-4-amine?
The canonical SMILES for 3-heptoxy-N-propylheptan-4-amine is CCCCCCCOC(CC)C(CCC)NCCC.
What is the InChIKey of 3-heptoxy-N-propylheptan-4-amine?
The InChIKey is ARSNYOUBZKATOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-5-9-10-11-12-15-19-17(8-4)16(13-6-2)18-14-7-3/h16-18H,5-15H2,1-4H3.
What are the key properties of 3-heptoxy-N-propylheptan-4-amine?
3-heptoxy-N-propylheptan-4-amine has a molecular weight of 271.49 g/mol, XLogP of 4.92, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptoxy-N-propylheptan-4-amine is sourced from PubChem (CID 63474937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).