4-(dodecylamino)-3,3-dimethylbutan-1-ol

C18H39NO — CID 106146657

IUPAC4-(dodecylamino)-3,3-dimethylbutan-1-ol
SMILESCCCCCCCCCCCCNCC(C)(C)CCO
InChIInChI=1S/C18H39NO/c1-4-5-6-7-8-9-10-11-12-13-15-19-17-18(2,3)14-16-20/h19-20H,4-17H2,1-3H3
InChIKeyNZXPVHRIPGCXDX-UHFFFAOYSA-N
MW285.52 g/mol
LogP4.91
Rot. Bonds15

About 4-(dodecylamino)-3,3-dimethylbutan-1-ol

4-(dodecylamino)-3,3-dimethylbutan-1-ol (PubChem CID 106146657) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 4-(dodecylamino)-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-(dodecylamino)-3,3-dimethylbutan-1-ol
PubChem CID106146657
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name4-(dodecylamino)-3,3-dimethylbutan-1-ol
SMILESCCCCCCCCCCCCNCC(C)(C)CCO
InChIInChI=1S/C18H39NO/c1-4-5-6-7-8-9-10-11-12-13-15-19-17-18(2,3)14-16-20/h19-20H,4-17H2,1-3H3
InChIKeyNZXPVHRIPGCXDX-UHFFFAOYSA-N
XLogP4.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(dodecylamino)-3,3-dimethylbutan-1-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

2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 106146641
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
CID 115363470
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
2-methyl-1-(octylamino)propan-2-ol
CID 65103945
2-(hydroxymethyl)-2-[(octadecylamino)methyl]propane-1,3-diol
CID 87300700
N'-hexyl-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28879474
2-(tetradecylamino)ethane-1,1,1-triol
CID 54121591

Frequently Asked Questions

What is the IUPAC name of 4-(dodecylamino)-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-(dodecylamino)-3,3-dimethylbutan-1-ol (CID 106146657) is 4-(dodecylamino)-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-(dodecylamino)-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-(dodecylamino)-3,3-dimethylbutan-1-ol is CCCCCCCCCCCCNCC(C)(C)CCO.
What is the InChIKey of 4-(dodecylamino)-3,3-dimethylbutan-1-ol?
The InChIKey is NZXPVHRIPGCXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-4-5-6-7-8-9-10-11-12-13-15-19-17-18(2,3)14-16-20/h19-20H,4-17H2,1-3H3.
What are the key properties of 4-(dodecylamino)-3,3-dimethylbutan-1-ol?
4-(dodecylamino)-3,3-dimethylbutan-1-ol has a molecular weight of 285.52 g/mol, XLogP of 4.91, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dodecylamino)-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106146657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).