4-[ethyl(nonan-5-yl)amino]butan-1-ol

C15H33NO — CID 88539737

IUPAC4-[ethyl(nonan-5-yl)amino]butan-1-ol
SMILESCCCCC(CCCC)N(CC)CCCCO
InChIInChI=1S/C15H33NO/c1-4-7-11-15(12-8-5-2)16(6-3)13-9-10-14-17/h15,17H,4-14H2,1-3H3
InChIKeyNYFLHRCWQSGEPP-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.83
Rot. Bonds12

About 4-[ethyl(nonan-5-yl)amino]butan-1-ol

4-[ethyl(nonan-5-yl)amino]butan-1-ol (PubChem CID 88539737) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 4-[ethyl(nonan-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[ethyl(nonan-5-yl)amino]butan-1-ol
PubChem CID88539737
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name4-[ethyl(nonan-5-yl)amino]butan-1-ol
SMILESCCCCC(CCCC)N(CC)CCCCO
InChIInChI=1S/C15H33NO/c1-4-7-11-15(12-8-5-2)16(6-3)13-9-10-14-17/h15,17H,4-14H2,1-3H3
InChIKeyNYFLHRCWQSGEPP-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.83
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-[ethyl(nonan-5-yl)amino]propan-1-ol
CID 88539707
3-[ethyl(heptan-3-yl)amino]propan-1-ol
CID 88539912
3-[ethyl(pentyl)amino]pentan-1-ol
CID 168878790
1-[ethyl(3-hydroxypropyl)amino]butan-1-ol
CID 90465206
3-amino-2-[butyl(ethyl)amino]propan-1-ol
CID 104710797
2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
CID 157153844
2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
CID 169095504
4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
CID 129034055
4-[heptan-4-yl(methyl)amino]butan-1-ol
CID 88539723
N,N-diethyltridecan-4-amine
CID 159822270
3-[butan-2-yl(ethyl)amino]propan-1-ol
CID 43509660
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
CID 102118025

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(nonan-5-yl)amino]butan-1-ol?
The IUPAC name of 4-[ethyl(nonan-5-yl)amino]butan-1-ol (CID 88539737) is 4-[ethyl(nonan-5-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[ethyl(nonan-5-yl)amino]butan-1-ol?
The canonical SMILES for 4-[ethyl(nonan-5-yl)amino]butan-1-ol is CCCCC(CCCC)N(CC)CCCCO.
What is the InChIKey of 4-[ethyl(nonan-5-yl)amino]butan-1-ol?
The InChIKey is NYFLHRCWQSGEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-7-11-15(12-8-5-2)16(6-3)13-9-10-14-17/h15,17H,4-14H2,1-3H3.
What are the key properties of 4-[ethyl(nonan-5-yl)amino]butan-1-ol?
4-[ethyl(nonan-5-yl)amino]butan-1-ol has a molecular weight of 243.43 g/mol, XLogP of 3.83, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(nonan-5-yl)amino]butan-1-ol is sourced from PubChem (CID 88539737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).