1-(cyclooctylamino)-4,4-dimethylpentan-2-ol

C15H31NO — CID 103784422

IUPAC1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CCCCCCC1
InChIInChI=1S/C15H31NO/c1-15(2,3)11-14(17)12-16-13-9-7-5-4-6-8-10-13/h13-14,16-17H,4-12H2,1-3H3
InChIKeySIMNQYWNJSNVAM-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.49
Rot. Bonds4

About 1-(cyclooctylamino)-4,4-dimethylpentan-2-ol

1-(cyclooctylamino)-4,4-dimethylpentan-2-ol (PubChem CID 103784422) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(cyclooctylamino)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
PubChem CID103784422
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(cyclooctylamino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNC1CCCCCCC1
InChIInChI=1S/C15H31NO/c1-15(2,3)11-14(17)12-16-13-9-7-5-4-6-8-10-13/h13-14,16-17H,4-12H2,1-3H3
InChIKeySIMNQYWNJSNVAM-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-[(1-methylazepan-4-yl)amino]pentan-2-ol
CID 103859816
4,4-dimethyl-1-[(1-methylpiperidin-4-yl)amino]pentan-2-ol
CID 91662929
4,4-dimethyl-1-(oxan-3-ylamino)pentan-2-ol
CID 115721192
1-[(3-aminocyclohexyl)amino]-4,4-dimethylpentan-2-ol
CID 107151355
4,4-dimethyl-1-[(1-propan-2-ylpiperidin-4-yl)amino]pentan-2-ol
CID 103784472
4,4-dimethyl-1-[(2-methylcyclohexyl)amino]pentan-2-ol
CID 115721189
(2S)-1-(cyclohexylamino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 8741576
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
1-[(3-aminocyclopentyl)amino]-4,4-dimethylpentan-2-ol
CID 107151493
1-chloro-3-(cyclooctylamino)propan-2-ol
CID 10443428
1-(cyclopropylamino)-4-methoxy-4-methylpentan-2-ol
CID 106676447
1-(cycloheptylamino)propan-2-ol
CID 43392225

Frequently Asked Questions

What is the IUPAC name of 1-(cyclooctylamino)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(cyclooctylamino)-4,4-dimethylpentan-2-ol (CID 103784422) is 1-(cyclooctylamino)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(cyclooctylamino)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(cyclooctylamino)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNC1CCCCCCC1.
What is the InChIKey of 1-(cyclooctylamino)-4,4-dimethylpentan-2-ol?
The InChIKey is SIMNQYWNJSNVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-15(2,3)11-14(17)12-16-13-9-7-5-4-6-8-10-13/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 1-(cyclooctylamino)-4,4-dimethylpentan-2-ol?
1-(cyclooctylamino)-4,4-dimethylpentan-2-ol has a molecular weight of 241.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclooctylamino)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 103784422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).