4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol

C11H25NO — CID 66092499

IUPAC4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNCCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(5-8-13)9-12-7-6-11(2,3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyAFINLJZWCIPANN-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.03
Rot. Bonds6

About 4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol

4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol (PubChem CID 66092499) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol
PubChem CID66092499
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNCCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(5-8-13)9-12-7-6-11(2,3)4/h10,12-13H,5-9H2,1-4H3
InChIKeyAFINLJZWCIPANN-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3,3-dimethylbutylamino)-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

4-(2,2-dimethylpropylamino)-3-methylbutan-1-ol
CID 66091312
4-[2-(tert-butylamino)ethylamino]-3-methylbutan-1-ol
CID 107445803
4-[2-(2-hydroxyethoxy)ethylamino]-3-methylbutan-1-ol
CID 66107039
3-methyl-4-(2-propan-2-yloxyethylamino)butan-1-ol
CID 66109201
3-methyl-4-(2-methylpentylamino)butan-1-ol
CID 66092685
N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine
CID 144887012
2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 104644680
2-[(3,3-dimethylbutylamino)methyl]-3-methylbutanoic acid
CID 115250399
2,5,5-trimethylhexan-1-ol
CID 3020914
tert-butyl N-tert-butyl-N-[2-[(4-hydroxy-2-methylbutyl)amino]ethyl]carbamate
CID 107445802
4-(2-butoxyethylamino)-3-methylbutan-1-ol
CID 66108115
N-ethyl-3-[(4-hydroxy-2-methylbutyl)amino]propanamide
CID 66091624

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol?
The IUPAC name of 4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol (CID 66092499) is 4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol?
The canonical SMILES for 4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol is CC(CCO)CNCCC(C)(C)C.
What is the InChIKey of 4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol?
The InChIKey is AFINLJZWCIPANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(5-8-13)9-12-7-6-11(2,3)4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol?
4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 66092499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).