1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol

C13H27NO2 — CID 104892073

IUPAC1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)C(CCO)NCC1(O)CCCCC1
InChIInChI=1S/C13H27NO2/c1-11(2)12(6-9-15)14-10-13(16)7-4-3-5-8-13/h11-12,14-16H,3-10H2,1-2H3
InChIKeyJJRCODUCAOJYSA-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.68
Rot. Bonds6

About 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol

1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 104892073) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol
PubChem CID104892073
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)C(CCO)NCC1(O)CCCCC1
InChIInChI=1S/C13H27NO2/c1-11(2)12(6-9-15)14-10-13(16)7-4-3-5-8-13/h11-12,14-16H,3-10H2,1-2H3
InChIKeyJJRCODUCAOJYSA-UHFFFAOYSA-N
XLogP1.68
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[1-(dimethylamino)-3-methylbutan-2-yl]amino]methyl]cycloheptan-1-ol
CID 54954236
2-[1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclopropyl]acetonitrile
CID 106349522
2-[(1-hydroxycyclopentyl)methylamino]propanoic acid
CID 65108936
1-[(1-hydroxypropan-2-ylamino)methyl]cyclobutan-1-ol
CID 130502696
1-[(4-methoxybutan-2-ylamino)methyl]cycloheptan-1-ol
CID 64604658
methyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122312
1-[(4-methylheptan-3-ylamino)methyl]cyclobutan-1-ol
CID 115718547
1-[(hex-5-en-2-ylamino)methyl]cycloheptan-1-ol
CID 104582555
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
CID 81385046
1-amino-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide
CID 103796589
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol (CID 104892073) is 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol is CC(C)C(CCO)NCC1(O)CCCCC1.
What is the InChIKey of 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is JJRCODUCAOJYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)12(6-9-15)14-10-13(16)7-4-3-5-8-13/h11-12,14-16H,3-10H2,1-2H3.
What are the key properties of 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol?
1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 104892073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).