1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol

C16H34N2O — CID 79560656

IUPAC1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC(C)CC1CCCCCN1
InChIInChI=1S/C16H34N2O/c1-13(2)11-16(4,19)12-18-14(3)10-15-8-6-5-7-9-17-15/h13-15,17-19H,5-12H2,1-4H3
InChIKeyHIXUAEQYNNGMPH-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.68
Rot. Bonds7

About 1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol

1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol (PubChem CID 79560656) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol
PubChem CID79560656
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC(C)CC1CCCCCN1
InChIInChI=1S/C16H34N2O/c1-13(2)11-16(4,19)12-18-14(3)10-15-8-6-5-7-9-17-15/h13-15,17-19H,5-12H2,1-4H3
InChIKeyHIXUAEQYNNGMPH-UHFFFAOYSA-N
XLogP2.68
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-methyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 104759518
3-[1-(azepan-2-yl)propan-2-ylamino]-2,2-dimethylpropanamide
CID 106274610
2-methyl-1-methylsulfanyl-3-(1-pyrrolidin-2-ylpropan-2-ylamino)propan-2-ol
CID 106245971
1-piperidin-2-yl-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 79549593
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429
2-(1-piperidin-2-ylpropan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 113405923
N-(cyclobutylmethyl)-1-piperidin-2-ylpropan-2-amine
CID 79549693
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824
2-[1-(azepan-2-yl)propan-2-ylamino]-2-ethylpropane-1,3-diol
CID 107865089
2-[1-(azepan-2-yl)propan-2-ylamino]-N-cyclopropylacetamide
CID 79560216
methyl 3-[1-(azepan-2-yl)propan-2-ylamino]propanoate
CID 79560294

Frequently Asked Questions

What is the IUPAC name of 1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol (CID 79560656) is 1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNC(C)CC1CCCCCN1.
What is the InChIKey of 1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is HIXUAEQYNNGMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)11-16(4,19)12-18-14(3)10-15-8-6-5-7-9-17-15/h13-15,17-19H,5-12H2,1-4H3.
What are the key properties of 1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol?
1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 270.46 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(azepan-2-yl)propan-2-ylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 79560656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).