2-(tert-butylamino)-4-methylpentan-1-ol

C10H23NO — CID 20608688

IUPAC2-(tert-butylamino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(2)6-9(7-12)11-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3
InChIKeyQDCUDRZKKKXYRL-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.78
Rot. Bonds4

About 2-(tert-butylamino)-4-methylpentan-1-ol

2-(tert-butylamino)-4-methylpentan-1-ol (PubChem CID 20608688) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-(tert-butylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-(tert-butylamino)-4-methylpentan-1-ol
PubChem CID20608688
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-(tert-butylamino)-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC(C)(C)C
InChIInChI=1S/C10H23NO/c1-8(2)6-9(7-12)11-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3
InChIKeyQDCUDRZKKKXYRL-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-tert-butyl-4-methyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 59906417
N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
CID 61246884
(2S)-2-(tert-butylamino)-3-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 59906425
2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol
CID 61242205
4-methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045848
2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol
CID 103033211
2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
CID 104644120
N-(1-hydroxy-4-methylpentan-2-yl)-3,4,4-trimethylpentanamide
CID 63834362
2-(butylamino)-4-methylpentan-1-ol
CID 61246841
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
2-ethyl-2-[[(1-hydroxy-4-methylpentan-2-yl)amino]methyl]butan-1-ol
CID 81418924
1-(1-hydroxy-4-methylpentan-2-yl)-3-propan-2-ylurea
CID 61246689

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-4-methylpentan-1-ol?
The IUPAC name of 2-(tert-butylamino)-4-methylpentan-1-ol (CID 20608688) is 2-(tert-butylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 2-(tert-butylamino)-4-methylpentan-1-ol?
The canonical SMILES for 2-(tert-butylamino)-4-methylpentan-1-ol is CC(C)CC(CO)NC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-4-methylpentan-1-ol?
The InChIKey is QDCUDRZKKKXYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-8(2)6-9(7-12)11-10(3,4)5/h8-9,11-12H,6-7H2,1-5H3.
What are the key properties of 2-(tert-butylamino)-4-methylpentan-1-ol?
2-(tert-butylamino)-4-methylpentan-1-ol has a molecular weight of 173.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 20608688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).