1-(dipentylamino)butan-2-ol

C14H31NO — CID 21496903

IUPAC1-(dipentylamino)butan-2-ol
SMILESCCCCCN(CCCCC)CC(O)CC
InChIInChI=1S/C14H31NO/c1-4-7-9-11-15(12-10-8-5-2)13-14(16)6-3/h14,16H,4-13H2,1-3H3
InChIKeyHYPBXHMVEWJJOZ-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.44
Rot. Bonds11

About 1-(dipentylamino)butan-2-ol

1-(dipentylamino)butan-2-ol (PubChem CID 21496903) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 1-(dipentylamino)butan-2-ol.

Molecular Properties

Compound Name1-(dipentylamino)butan-2-ol
PubChem CID21496903
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name1-(dipentylamino)butan-2-ol
SMILESCCCCCN(CCCCC)CC(O)CC
InChIInChI=1S/C14H31NO/c1-4-7-9-11-15(12-10-8-5-2)13-14(16)6-3/h14,16H,4-13H2,1-3H3
InChIKeyHYPBXHMVEWJJOZ-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.44
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

1-[2-hydroxybutyl(pentyl)amino]butan-2-ol
CID 23423727
1-[2-hydroxyethyl(octyl)amino]butan-2-ol
CID 23423733
1-[2-hydroxypropyl(pentyl)amino]butan-2-ol
CID 23423726
1-[butyl(ethyl)amino]butan-2-ol
CID 60885925
1-[decyl-[3-[decyl-[3-[decyl-[3-[dodecyl(2-hydroxyethyl)amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-2-hydroxypropyl]amino]-3-[dodecyl(2-hydroxyethyl)amino]propan-2-ol
CID 139686343
2-(dioctylamino)ethane-1,1-diol
CID 87744502
1-(dibutylamino)undecan-2-ol
CID 101275149
(2S)-3-[[(2S)-2,3-dihydroxypropyl]-dodecylamino]propane-1,2-diol
CID 91864838
ethane;1-[[(2R)-2-hydroxydodecyl]-pentylamino]dodecan-2-ol
CID 144985798
(2R)-3-[dodecyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 98095005
1-[5-[2-hydroxypropyl(nonyl)amino]pentyl-nonylamino]propan-2-ol
CID 175685143
(2R)-1,1,1-trifluoro-3-[hexyl(pentyl)amino]propan-2-ol
CID 87509068

Frequently Asked Questions

What is the IUPAC name of 1-(dipentylamino)butan-2-ol?
The IUPAC name of 1-(dipentylamino)butan-2-ol (CID 21496903) is 1-(dipentylamino)butan-2-ol.
What is the SMILES notation for 1-(dipentylamino)butan-2-ol?
The canonical SMILES for 1-(dipentylamino)butan-2-ol is CCCCCN(CCCCC)CC(O)CC.
What is the InChIKey of 1-(dipentylamino)butan-2-ol?
The InChIKey is HYPBXHMVEWJJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-7-9-11-15(12-10-8-5-2)13-14(16)6-3/h14,16H,4-13H2,1-3H3.
What are the key properties of 1-(dipentylamino)butan-2-ol?
1-(dipentylamino)butan-2-ol has a molecular weight of 229.41 g/mol, XLogP of 3.44, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dipentylamino)butan-2-ol is sourced from PubChem (CID 21496903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).