2-(decylamino)butan-2-ol

C14H31NO — CID 87867610

IUPAC2-(decylamino)butan-2-ol
SMILESCCCCCCCCCCNC(C)(O)CC
InChIInChI=1S/C14H31NO/c1-4-6-7-8-9-10-11-12-13-15-14(3,16)5-2/h15-16H,4-13H2,1-3H3
InChIKeyASOLZHBWNZIPGJ-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.84
Rot. Bonds11

About 2-(decylamino)butan-2-ol

2-(decylamino)butan-2-ol (PubChem CID 87867610) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-(decylamino)butan-2-ol.

Molecular Properties

Compound Name2-(decylamino)butan-2-ol
PubChem CID87867610
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-(decylamino)butan-2-ol
SMILESCCCCCCCCCCNC(C)(O)CC
InChIInChI=1S/C14H31NO/c1-4-6-7-8-9-10-11-12-13-15-14(3,16)5-2/h15-16H,4-13H2,1-3H3
InChIKeyASOLZHBWNZIPGJ-UHFFFAOYSA-N
XLogP3.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(decylamino)butan-2-ol?
The IUPAC name of 2-(decylamino)butan-2-ol (CID 87867610) is 2-(decylamino)butan-2-ol.
What is the SMILES notation for 2-(decylamino)butan-2-ol?
The canonical SMILES for 2-(decylamino)butan-2-ol is CCCCCCCCCCNC(C)(O)CC.
What is the InChIKey of 2-(decylamino)butan-2-ol?
The InChIKey is ASOLZHBWNZIPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-4-6-7-8-9-10-11-12-13-15-14(3,16)5-2/h15-16H,4-13H2,1-3H3.
What are the key properties of 2-(decylamino)butan-2-ol?
2-(decylamino)butan-2-ol has a molecular weight of 229.41 g/mol, XLogP of 3.84, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decylamino)butan-2-ol is sourced from PubChem (CID 87867610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).