[1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol

C16H31NO2 — CID 81419348

IUPAC[1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol
SMILESCC1CCC(CO)(NCC2(CO)CCCCC2)CC1
InChIInChI=1S/C16H31NO2/c1-14-5-9-16(13-19,10-6-14)17-11-15(12-18)7-3-2-4-8-15/h14,17-19H,2-13H2,1H3
InChIKeyWUCOIGIXZYQTBD-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.46
Rot. Bonds5

About [1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol

[1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol (PubChem CID 81419348) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is [1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol
PubChem CID81419348
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name[1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol
SMILESCC1CCC(CO)(NCC2(CO)CCCCC2)CC1
InChIInChI=1S/C16H31NO2/c1-14-5-9-16(13-19,10-6-14)17-11-15(12-18)7-3-2-4-8-15/h14,17-19H,2-13H2,1H3
InChIKeyWUCOIGIXZYQTBD-UHFFFAOYSA-N
XLogP2.46
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-(heptylamino)-4-methylcyclohexyl]methanol
CID 55086742
[4-methyl-1-(octylamino)cyclohexyl]methanol
CID 63476632
[1-(benzylamino)-4-methylcycloheptyl]methanol
CID 65085339
N-[1-(hydroxymethyl)-4-methylcyclohexyl]azepane-1-sulfonamide
CID 62526694
[4-methyl-1-[(4-methylcyclohexyl)amino]cyclohexyl]methanol
CID 62526376
[4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol
CID 62552501
[4-methyl-1-(piperidin-4-ylmethylamino)cyclohexyl]methanol
CID 79708030
[1-[[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]cyclohexyl]methanol
CID 81418548
1,1,1-trifluoro-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
CID 63900670
[1-[(3,5-dimethylphenyl)methylamino]-4-methylcyclohexyl]methanol
CID 62553320
[4-methyl-1-(pyrimidin-2-ylmethylamino)cyclohexyl]methanol
CID 62699370
[1-[(1-cyclopentylethylamino)methyl]cyclohexyl]methanol
CID 81419658

Frequently Asked Questions

What is the IUPAC name of [1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol (CID 81419348) is [1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol is CC1CCC(CO)(NCC2(CO)CCCCC2)CC1.
What is the InChIKey of [1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol?
The InChIKey is WUCOIGIXZYQTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-14-5-9-16(13-19,10-6-14)17-11-15(12-18)7-3-2-4-8-15/h14,17-19H,2-13H2,1H3.
What are the key properties of [1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol?
[1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol has a molecular weight of 269.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81419348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).