3-[ethyl(hexadecyl)amino]propan-1-ol

C21H45NO — CID 138077517

IUPAC3-[ethyl(hexadecyl)amino]propan-1-ol
SMILESCCCCCCCCCCCCCCCCN(CC)CCCO
InChIInChI=1S/C21H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(4-2)20-18-21-23/h23H,3-21H2,1-2H3
InChIKeyRNUPAQGUEVAVJY-UHFFFAOYSA-N
MW327.60 g/mol
LogP6.17
Rot. Bonds19

About 3-[ethyl(hexadecyl)amino]propan-1-ol

3-[ethyl(hexadecyl)amino]propan-1-ol (PubChem CID 138077517) has the molecular formula C21H45NO and a molecular weight of 327.60 g/mol. Its IUPAC name is 3-[ethyl(hexadecyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(hexadecyl)amino]propan-1-ol
PubChem CID138077517
Molecular FormulaC21H45NO
Molecular Weight327.60 g/mol
Exact Mass327.35
IUPAC Name3-[ethyl(hexadecyl)amino]propan-1-ol
SMILESCCCCCCCCCCCCCCCCN(CC)CCCO
InChIInChI=1S/C21H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(4-2)20-18-21-23/h23H,3-21H2,1-2H3
InChIKeyRNUPAQGUEVAVJY-UHFFFAOYSA-N
XLogP6.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[ethyl(hexadecyl)amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(nonyl)amino]ethanol
CID 62021397
3-[3-hydroxypropyl(icosyl)amino]propan-1-ol
CID 87327688
3-[decyl(propyl)amino]propan-1-ol
CID 13122229
3-[hexyl(2-hydroxyethyl)amino]propan-1-ol
CID 138077793
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
CID 102118025
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

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(hexadecyl)amino]propan-1-ol?
The IUPAC name of 3-[ethyl(hexadecyl)amino]propan-1-ol (CID 138077517) is 3-[ethyl(hexadecyl)amino]propan-1-ol.
What is the SMILES notation for 3-[ethyl(hexadecyl)amino]propan-1-ol?
The canonical SMILES for 3-[ethyl(hexadecyl)amino]propan-1-ol is CCCCCCCCCCCCCCCCN(CC)CCCO.
What is the InChIKey of 3-[ethyl(hexadecyl)amino]propan-1-ol?
The InChIKey is RNUPAQGUEVAVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(4-2)20-18-21-23/h23H,3-21H2,1-2H3.
What are the key properties of 3-[ethyl(hexadecyl)amino]propan-1-ol?
3-[ethyl(hexadecyl)amino]propan-1-ol has a molecular weight of 327.60 g/mol, XLogP of 6.17, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(hexadecyl)amino]propan-1-ol is sourced from PubChem (CID 138077517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).