3-[decyl(propyl)amino]propan-1-ol

C16H35NO — CID 13122229

IUPAC3-[decyl(propyl)amino]propan-1-ol
SMILESCCCCCCCCCCN(CCC)CCCO
InChIInChI=1S/C16H35NO/c1-3-5-6-7-8-9-10-11-14-17(13-4-2)15-12-16-18/h18H,3-16H2,1-2H3
InChIKeyJRNNJEOXDKJBDT-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.22
Rot. Bonds14

About 3-[decyl(propyl)amino]propan-1-ol

3-[decyl(propyl)amino]propan-1-ol (PubChem CID 13122229) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 3-[decyl(propyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[decyl(propyl)amino]propan-1-ol
PubChem CID13122229
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name3-[decyl(propyl)amino]propan-1-ol
SMILESCCCCCCCCCCN(CCC)CCCO
InChIInChI=1S/C16H35NO/c1-3-5-6-7-8-9-10-11-14-17(13-4-2)15-12-16-18/h18H,3-16H2,1-2H3
InChIKeyJRNNJEOXDKJBDT-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 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 ≤ 54.22
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-hydroxypropyl(icosyl)amino]propan-1-ol
CID 87327688
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
10-[hexyl(10-hydroxydecyl)amino]decan-1-ol
CID 102117974
12-[12-hydroxydodecyl(octyl)amino]dodecan-1-ol
CID 102117988
5-(dihexylamino)pentan-1-ol
CID 22218544
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
CID 102118025

Frequently Asked Questions

What is the IUPAC name of 3-[decyl(propyl)amino]propan-1-ol?
The IUPAC name of 3-[decyl(propyl)amino]propan-1-ol (CID 13122229) is 3-[decyl(propyl)amino]propan-1-ol.
What is the SMILES notation for 3-[decyl(propyl)amino]propan-1-ol?
The canonical SMILES for 3-[decyl(propyl)amino]propan-1-ol is CCCCCCCCCCN(CCC)CCCO.
What is the InChIKey of 3-[decyl(propyl)amino]propan-1-ol?
The InChIKey is JRNNJEOXDKJBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-3-5-6-7-8-9-10-11-14-17(13-4-2)15-12-16-18/h18H,3-16H2,1-2H3.
What are the key properties of 3-[decyl(propyl)amino]propan-1-ol?
3-[decyl(propyl)amino]propan-1-ol has a molecular weight of 257.46 g/mol, XLogP of 4.22, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[decyl(propyl)amino]propan-1-ol is sourced from PubChem (CID 13122229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).