1-decoxy-N-propylpropan-1-amine

C16H35NO — CID 173331192

IUPAC1-decoxy-N-propylpropan-1-amine
SMILESCCCCCCCCCCOC(CC)NCCC
InChIInChI=1S/C16H35NO/c1-4-7-8-9-10-11-12-13-15-18-16(6-3)17-14-5-2/h16-17H,4-15H2,1-3H3
InChIKeyBLBVWHKONWEUCG-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.88
Rot. Bonds14

About 1-decoxy-N-propylpropan-1-amine

1-decoxy-N-propylpropan-1-amine (PubChem CID 173331192) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 1-decoxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-decoxy-N-propylpropan-1-amine
PubChem CID173331192
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name1-decoxy-N-propylpropan-1-amine
SMILESCCCCCCCCCCOC(CC)NCCC
InChIInChI=1S/C16H35NO/c1-4-7-8-9-10-11-12-13-15-18-16(6-3)17-14-5-2/h16-17H,4-15H2,1-3H3
InChIKeyBLBVWHKONWEUCG-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(1-tridecoxypropyl)propane-1,3-diamine
CID 22412585
N-butyl-1-pentoxydecan-1-amine
CID 172707813
N-butyl-1-pentoxybutan-1-amine
CID 88850312
3-heptoxy-N-propylheptan-4-amine
CID 63474937
1-decoxy-N-ethylundecan-1-amine
CID 172700916
1-hexoxy-N-propylbutan-2-amine
CID 62039776
1-pentan-3-yloxydecane
CID 173279604
didodecoxymethylsilane
CID 172799979
7-[1-(propylamino)-3-trimethoxysilylpropoxy]heptan-1-amine
CID 175350299
N-ethyl-1-hexoxyethanamine
CID 22450267
1-(difluoromethoxy)decane
CID 14400535
1-undecoxypropan-1-ol
CID 139971923

Frequently Asked Questions

What is the IUPAC name of 1-decoxy-N-propylpropan-1-amine?
The IUPAC name of 1-decoxy-N-propylpropan-1-amine (CID 173331192) is 1-decoxy-N-propylpropan-1-amine.
What is the SMILES notation for 1-decoxy-N-propylpropan-1-amine?
The canonical SMILES for 1-decoxy-N-propylpropan-1-amine is CCCCCCCCCCOC(CC)NCCC.
What is the InChIKey of 1-decoxy-N-propylpropan-1-amine?
The InChIKey is BLBVWHKONWEUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-4-7-8-9-10-11-12-13-15-18-16(6-3)17-14-5-2/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-decoxy-N-propylpropan-1-amine?
1-decoxy-N-propylpropan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.88, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decoxy-N-propylpropan-1-amine is sourced from PubChem (CID 173331192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).