[2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol

C14H29NO2 — CID 103784997

IUPAC[2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol
SMILESCOC(C)(C)CC(C)NC1CCCCC1CO
InChIInChI=1S/C14H29NO2/c1-11(9-14(2,3)17-4)15-13-8-6-5-7-12(13)10-16/h11-13,15-16H,5-10H2,1-4H3
InChIKeyOJWZWTPNYGHWOJ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.33
Rot. Bonds6

About [2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol

[2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol (PubChem CID 103784997) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is [2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol
PubChem CID103784997
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name[2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol
SMILESCOC(C)(C)CC(C)NC1CCCCC1CO
InChIInChI=1S/C14H29NO2/c1-11(9-14(2,3)17-4)15-13-8-6-5-7-12(13)10-16/h11-13,15-16H,5-10H2,1-4H3
InChIKeyOJWZWTPNYGHWOJ-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol
CID 115722501
N-(4-methoxy-4-methylpentan-2-yl)-2-methylcyclopentan-1-amine
CID 63277832
[2-(1-cyclopropylpropan-2-ylamino)cyclopentyl]methanol
CID 115723777
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814
N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine
CID 103786640
3-[[2-(hydroxymethyl)cyclohexyl]amino]butan-2-ol
CID 104934399
[2-(1-cyclopentylethylamino)cyclopentyl]methanol
CID 115723803
[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methanol
CID 103096667
N-(cyclopentylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 43370737
[2-(2-methylpentan-3-ylamino)cyclopentyl]methanol
CID 115723783
N-(4-methoxy-4-methylpentan-2-yl)-2,3-dimethylcyclopentan-1-amine
CID 64908217
3-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 65066289

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol (CID 103784997) is [2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol is COC(C)(C)CC(C)NC1CCCCC1CO.
What is the InChIKey of [2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol?
The InChIKey is OJWZWTPNYGHWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(9-14(2,3)17-4)15-13-8-6-5-7-12(13)10-16/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of [2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol?
[2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol has a molecular weight of 243.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 103784997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).