2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol

C14H31NO — CID 115896051

IUPAC2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol
SMILESCCC(NCC(C)(C)C(O)C(C)C)C(C)C
InChIInChI=1S/C14H31NO/c1-8-12(10(2)3)15-9-14(6,7)13(16)11(4)5/h10-13,15-16H,8-9H2,1-7H3
InChIKeyHPIFEAFLDFKGAE-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.05
Rot. Bonds7

About 2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol

2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol (PubChem CID 115896051) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol
PubChem CID115896051
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol
SMILESCCC(NCC(C)(C)C(O)C(C)C)C(C)C
InChIInChI=1S/C14H31NO/c1-8-12(10(2)3)15-9-14(6,7)13(16)11(4)5/h10-13,15-16H,8-9H2,1-7H3
InChIKeyHPIFEAFLDFKGAE-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 104644167
2-methyl-N-(2-methylbutyl)pentan-3-amine
CID 61468909
N-(3-chloropropyl)-2-methylpentan-3-amine
CID 88742060
3-(2-methylpentan-3-ylamino)propane-1,2-diol
CID 66177145
1-(cyclohexylamino)-2,2,4-trimethylpentan-3-ol
CID 109380064
2-methylpropane;2,2,4-trimethylpentane-1,3-diol
CID 160920366
2,2,4-trimethylpentane-1,3-diol;hydrate
CID 176902266
2,4,4-trimethyloctan-3-ol
CID 57242612
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-pentylurea
CID 109379615
N,N-dimethyl-2-(2-methylpentan-3-ylamino)acetamide
CID 43775382
2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide
CID 101468580
(2S)-2-[(2-hydroxy-2-methylpropyl)amino]-3-methylbutan-1-ol
CID 79249473

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol?
The IUPAC name of 2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol (CID 115896051) is 2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol.
What is the SMILES notation for 2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol?
The canonical SMILES for 2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol is CCC(NCC(C)(C)C(O)C(C)C)C(C)C.
What is the InChIKey of 2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol?
The InChIKey is HPIFEAFLDFKGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-8-12(10(2)3)15-9-14(6,7)13(16)11(4)5/h10-13,15-16H,8-9H2,1-7H3.
What are the key properties of 2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol?
2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol has a molecular weight of 229.41 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-(2-methylpentan-3-ylamino)pentan-3-ol is sourced from PubChem (CID 115896051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).