3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol

C12H27NO — CID 115134361

IUPAC3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol
SMILESCCCC(C)(C)CNC(C)(C)CCO
InChIInChI=1S/C12H27NO/c1-6-7-11(2,3)10-13-12(4,5)8-9-14/h13-14H,6-10H2,1-5H3
InChIKeyNVJWJBDBPTZMIP-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.56
Rot. Bonds7

About 3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol

3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol (PubChem CID 115134361) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol
PubChem CID115134361
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol
SMILESCCCC(C)(C)CNC(C)(C)CCO
InChIInChI=1S/C12H27NO/c1-6-7-11(2,3)10-13-12(4,5)8-9-14/h13-14H,6-10H2,1-5H3
InChIKeyNVJWJBDBPTZMIP-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2,2-dimethylpentylamino)-3-methylbutan-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-(2,2-dimethylpentylamino)-2-methylpropan-1-ol
CID 115133723
2-(2-methylpentan-2-ylamino)ethanol
CID 23342156
3-methyl-3-[[2-methyl-2-(2-methylphenyl)propyl]amino]butan-1-ol
CID 115134383
2,2-dimethylpentylhydrazine
CID 87703998
ethane;3-methyl-3-(methylamino)butan-1-ol;propane
CID 142331401
N-(2,2-dimethylbutyl)-2,2-dimethylpentan-1-amine
CID 88877913
3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol
CID 115134045
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
2-(tert-butylamino)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide
CID 103825116
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
3-propyl-3-(propylamino)hexan-1-ol
CID 65234503
[1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol
CID 115243777

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol?
The IUPAC name of 3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol (CID 115134361) is 3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol?
The canonical SMILES for 3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol is CCCC(C)(C)CNC(C)(C)CCO.
What is the InChIKey of 3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol?
The InChIKey is NVJWJBDBPTZMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-7-11(2,3)10-13-12(4,5)8-9-14/h13-14H,6-10H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol?
3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpentylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 115134361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).