2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol

C11H25NO — CID 59978046

IUPAC2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol
SMILESCCC(C)CCNCC(C)(C)CO
InChIInChI=1S/C11H25NO/c1-5-10(2)6-7-12-8-11(3,4)9-13/h10,12-13H,5-9H2,1-4H3
InChIKeyGIWMYNQOVCFWJA-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.03
Rot. Bonds7

About 2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol

2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol (PubChem CID 59978046) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol
PubChem CID59978046
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol
SMILESCCC(C)CCNCC(C)(C)CO
InChIInChI=1S/C11H25NO/c1-5-10(2)6-7-12-8-11(3,4)9-13/h10,12-13H,5-9H2,1-4H3
InChIKeyGIWMYNQOVCFWJA-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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'}

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Related Compounds

2-Ethyl-2-[(methylamino)methyl]butan-1-ol
CID 25220827
3-[(2,2-Dimethylpropyl)amino]propan-1-ol
CID 50986357
4,4-Dimethyl-1-(methylamino)pentan-3-ol
CID 83635351
2-Ethylhexylhydroxypropylamine
CID 60683005
3-(Pentylamino)propan-1-ol
CID 188087
2,2-Difluoro-3-(4-methylpentylamino)propan-1-ol
CID 102673320
2,2-Difluoro-3-(2-methylpentylamino)propan-1-ol
CID 104857330
3-(2-Ethylbutylamino)-2,2-difluoropropan-1-ol
CID 104857437
2-Ethyl-2-[(2-fluoroethylamino)methyl]butan-1-ol
CID 106255671
2-Ethyl-2-[(3-fluoropropylamino)methyl]butan-1-ol
CID 106255813
2,2-Dimethyl-3-(5,5,5-trifluoropentylamino)propan-1-ol
CID 115516907
2-Ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol
CID 115517280

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol (CID 59978046) is 2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol is CCC(C)CCNCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol?
The InChIKey is GIWMYNQOVCFWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-10(2)6-7-12-8-11(3,4)9-13/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol?
2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methylpentylamino)propan-1-ol is sourced from PubChem (CID 59978046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).