2,3-dimethyl-3-(nonylamino)butan-2-ol

C15H33NO — CID 106189952

IUPAC2,3-dimethyl-3-(nonylamino)butan-2-ol
SMILESCCCCCCCCCNC(C)(C)C(C)(C)O
InChIInChI=1S/C15H33NO/c1-6-7-8-9-10-11-12-13-16-14(2,3)15(4,5)17/h16-17H,6-13H2,1-5H3
InChIKeyBBSHTKWYFXCRPY-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.88
Rot. Bonds10

About 2,3-dimethyl-3-(nonylamino)butan-2-ol

2,3-dimethyl-3-(nonylamino)butan-2-ol (PubChem CID 106189952) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 2,3-dimethyl-3-(nonylamino)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-(nonylamino)butan-2-ol
PubChem CID106189952
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name2,3-dimethyl-3-(nonylamino)butan-2-ol
SMILESCCCCCCCCCNC(C)(C)C(C)(C)O
InChIInChI=1S/C15H33NO/c1-6-7-8-9-10-11-12-13-16-14(2,3)15(4,5)17/h16-17H,6-13H2,1-5H3
InChIKeyBBSHTKWYFXCRPY-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dimethyl-3-(nonylamino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(dodecylamino)ethane-1,1-diol
CID 23198053
1,1-bis(octylamino)ethanol
CID 87347011
N-tert-butylnonadecan-1-amine
CID 87846739
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
1-(octylamino)ethane-1,1,2-triol
CID 87504785
N-(1-chloro-2-methylpropan-2-yl)hexan-1-amine
CID 65026682
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
N-heptyl-5-methylnonan-5-amine
CID 126560493
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
2-methyl-2-(nonylamino)propanoic acid
CID 65263943
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(nonylamino)butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-(nonylamino)butan-2-ol (CID 106189952) is 2,3-dimethyl-3-(nonylamino)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-(nonylamino)butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-(nonylamino)butan-2-ol is CCCCCCCCCNC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethyl-3-(nonylamino)butan-2-ol?
The InChIKey is BBSHTKWYFXCRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-6-7-8-9-10-11-12-13-16-14(2,3)15(4,5)17/h16-17H,6-13H2,1-5H3.
What are the key properties of 2,3-dimethyl-3-(nonylamino)butan-2-ol?
2,3-dimethyl-3-(nonylamino)butan-2-ol has a molecular weight of 243.43 g/mol, XLogP of 3.88, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(nonylamino)butan-2-ol is sourced from PubChem (CID 106189952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).