3-[(decylamino)methyl]pentan-3-ol

C16H35NO — CID 65111652

IUPAC3-[(decylamino)methyl]pentan-3-ol
SMILESCCCCCCCCCCNCC(O)(CC)CC
InChIInChI=1S/C16H35NO/c1-4-7-8-9-10-11-12-13-14-17-15-16(18,5-2)6-3/h17-18H,4-15H2,1-3H3
InChIKeyZIHRFEKYQPHSDM-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.27
Rot. Bonds13

About 3-[(decylamino)methyl]pentan-3-ol

3-[(decylamino)methyl]pentan-3-ol (PubChem CID 65111652) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 3-[(decylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(decylamino)methyl]pentan-3-ol
PubChem CID65111652
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name3-[(decylamino)methyl]pentan-3-ol
SMILESCCCCCCCCCCNCC(O)(CC)CC
InChIInChI=1S/C16H35NO/c1-4-7-8-9-10-11-12-13-14-17-15-16(18,5-2)6-3/h17-18H,4-15H2,1-3H3
InChIKeyZIHRFEKYQPHSDM-UHFFFAOYSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(tetradecylamino)ethane-1,1,1-triol
CID 54121591
3-[(7-methyloctylamino)methyl]pentan-3-ol
CID 107814894
2-methyl-1-(octylamino)propan-2-ol
CID 65103945
3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol
CID 114493463
3-[(hex-5-ynylamino)methyl]pentan-3-ol
CID 106211950
3-[(2-butoxyethylamino)methyl]pentan-3-ol
CID 65111219
2-ethyl-2-[(nonylamino)methyl]butan-1-ol
CID 114164917
2-(hydroxymethyl)-2-[(octadecylamino)methyl]propane-1,3-diol
CID 87300700
N-(2,2-difluorobutyl)dodecan-1-amine
CID 159120167
4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid
CID 65111208
3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 157184165
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372

Frequently Asked Questions

What is the IUPAC name of 3-[(decylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(decylamino)methyl]pentan-3-ol (CID 65111652) is 3-[(decylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(decylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(decylamino)methyl]pentan-3-ol is CCCCCCCCCCNCC(O)(CC)CC.
What is the InChIKey of 3-[(decylamino)methyl]pentan-3-ol?
The InChIKey is ZIHRFEKYQPHSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-4-7-8-9-10-11-12-13-14-17-15-16(18,5-2)6-3/h17-18H,4-15H2,1-3H3.
What are the key properties of 3-[(decylamino)methyl]pentan-3-ol?
3-[(decylamino)methyl]pentan-3-ol has a molecular weight of 257.46 g/mol, XLogP of 4.27, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(decylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65111652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).