3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine

C17H41NO — CID 177062263

IUPAC3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC.CC(C)CCNC(C)C.CCC(C)(C)CCO
InChIInChI=1S/C8H19N.C7H16O.C2H6/c1-7(2)5-6-9-8(3)4;1-4-7(2,3)5-6-8;1-2/h7-9H,5-6H2,1-4H3;8H,4-6H2,1-3H3;1-2H3
InChIKeyUNGWPVBNUBKZAH-UHFFFAOYSA-N
MW275.52 g/mol
LogP4.86
Rot. Bonds7

About 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine

3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 177062263) has the molecular formula C17H41NO and a molecular weight of 275.52 g/mol. Its IUPAC name is 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID177062263
Molecular FormulaC17H41NO
Molecular Weight275.52 g/mol
Exact Mass275.32
IUPAC Name3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC.CC(C)CCNC(C)C.CCC(C)(C)CCO
InChIInChI=1S/C8H19N.C7H16O.C2H6/c1-7(2)5-6-9-8(3)4;1-4-7(2,3)5-6-8;1-2/h7-9H,5-6H2,1-4H3;8H,4-6H2,1-3H3;1-2H3
InChIKeyUNGWPVBNUBKZAH-UHFFFAOYSA-N
XLogP4.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.52
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine 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

methanamine;3-methyl-N-propan-2-ylbutan-1-amine
CID 169260441
4,4-dimethyl-N-(3-methylbutyl)hexanamide
CID 162526519
2-methyl-N-(3-methylbut-1-en-2-yl)pentan-2-amine;3-methyl-N-propan-2-ylbutan-1-amine
CID 171106690
1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea
CID 111503761
3-methyl-3-(propan-2-ylamino)pentan-1-ol
CID 115921099
4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol
CID 111860116
N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol
CID 176553145
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 106146856
3-(3-hydroxybutylamino)-3-methylpentan-1-ol
CID 106175110
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
4-(propan-2-ylamino)-2-(trifluoromethyl)butan-1-ol
CID 155618379
2-(3-methylbutylamino)propane-1,3-diol
CID 22723330

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine (CID 177062263) is 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine is CC.CC(C)CCNC(C)C.CCC(C)(C)CCO.
What is the InChIKey of 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is UNGWPVBNUBKZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C7H16O.C2H6/c1-7(2)5-6-9-8(3)4;1-4-7(2,3)5-6-8;1-2/h7-9H,5-6H2,1-4H3;8H,4-6H2,1-3H3;1-2H3.
What are the key properties of 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine?
3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 275.52 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentan-1-ol;ethane;3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 177062263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).