3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol

C11H25NO — CID 115656012

IUPAC3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(2)10(6-7-13)12-8-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyBVVSERQSZMYWGG-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.03
Rot. Bonds5

About 3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol

3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol (PubChem CID 115656012) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol
PubChem CID115656012
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol
SMILESCC(C)C(CCO)NCC(C)(C)C
InChIInChI=1S/C11H25NO/c1-9(2)10(6-7-13)12-8-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyBVVSERQSZMYWGG-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

(2S)-4-methyl-2-(methylamino)pentan-1-ol
CID 12695791
(S)-2-Isopropylamino-3-methyl-1-butanol
CID 13778611
4-Methyl-2-(methylamino)pentan-1-ol
CID 12695790
3-Amino-2,2,4-trimethylpentan-1-ol
CID 20384478
(2R)-4-methyl-2-(methylamino)pentan-1-ol
CID 59967423
t-Butylleucinol
CID 59118614
(2S)-2-(2,2-dimethylpropylamino)-3-methylbutan-1-ol
CID 11788561
2-Methyl-4-Methylaminohexanol
CID 76589891
2-Methyl-3-Methylaminohexanol
CID 129647648
3-Amino-2-[(isobutylamino)methyl]butan-1-ol
CID 168301758
2-(2-Fluoroethylamino)-4-methylpentan-1-ol
CID 80694517
2-(3-Fluoropropylamino)-4-methylpentan-1-ol
CID 81107305

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol (CID 115656012) is 3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol is CC(C)C(CCO)NCC(C)(C)C.
What is the InChIKey of 3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol?
The InChIKey is BVVSERQSZMYWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)10(6-7-13)12-8-11(3,4)5/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol?
3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 115656012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).