2-(decylamino)butan-1-ol

C14H31NO — CID 60668820

IUPAC2-(decylamino)butan-1-ol
SMILESCCCCCCCCCCNC(CC)CO
InChIInChI=1S/C14H31NO/c1-3-5-6-7-8-9-10-11-12-15-14(4-2)13-16/h14-16H,3-13H2,1-2H3
InChIKeySAAGXEXNOBJINC-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.49
Rot. Bonds12

About 2-(decylamino)butan-1-ol

2-(decylamino)butan-1-ol (PubChem CID 60668820) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-(decylamino)butan-1-ol.

Molecular Properties

Compound Name2-(decylamino)butan-1-ol
PubChem CID60668820
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-(decylamino)butan-1-ol
SMILESCCCCCCCCCCNC(CC)CO
InChIInChI=1S/C14H31NO/c1-3-5-6-7-8-9-10-11-12-15-14(4-2)13-16/h14-16H,3-13H2,1-2H3
InChIKeySAAGXEXNOBJINC-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.49
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

(2S)-2-(pentylamino)butan-1-ol
CID 28724748
2-(hexylamino)pentan-1-ol
CID 155661034
(2S)-2-(decylamino)-4-methylpentan-1-ol
CID 98495932
3-methoxy-2-(nonylamino)propan-1-ol
CID 106190641
2-(decylamino)-3-methoxypropan-1-ol
CID 114155671
N-tridecylpentadecan-3-amine
CID 88820168
N-hexan-3-ylhexan-1-amine
CID 62117591
(2S)-2-(4-methylsulfanylbutylamino)butan-1-ol
CID 103088479
N-(1-chlorobutan-2-yl)decan-1-amine
CID 65026505
N-pentylheptan-3-amine
CID 63944300
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
3-(octadecylamino)pentane-1,5-diol;hydrochloride
CID 173050552

Frequently Asked Questions

What is the IUPAC name of 2-(decylamino)butan-1-ol?
The IUPAC name of 2-(decylamino)butan-1-ol (CID 60668820) is 2-(decylamino)butan-1-ol.
What is the SMILES notation for 2-(decylamino)butan-1-ol?
The canonical SMILES for 2-(decylamino)butan-1-ol is CCCCCCCCCCNC(CC)CO.
What is the InChIKey of 2-(decylamino)butan-1-ol?
The InChIKey is SAAGXEXNOBJINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-3-5-6-7-8-9-10-11-12-15-14(4-2)13-16/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-(decylamino)butan-1-ol?
2-(decylamino)butan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.49, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decylamino)butan-1-ol is sourced from PubChem (CID 60668820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).