1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol

C15H29NO2 — CID 55086559

IUPAC1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(CO)(NCC2(O)CCCCC2)CC1
InChIInChI=1S/C15H29NO2/c1-13-5-9-14(12-17,10-6-13)16-11-15(18)7-3-2-4-8-15/h13,16-18H,2-12H2,1H3
InChIKeyWJVDTXQIBYLIIH-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.21
Rot. Bonds4

About 1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol

1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol (PubChem CID 55086559) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol
PubChem CID55086559
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESCC1CCC(CO)(NCC2(O)CCCCC2)CC1
InChIInChI=1S/C15H29NO2/c1-13-5-9-14(12-17,10-6-13)16-11-15(18)7-3-2-4-8-15/h13,16-18H,2-12H2,1H3
InChIKeyWJVDTXQIBYLIIH-UHFFFAOYSA-N
XLogP2.21
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol (CID 55086559) is 1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol is CC1CCC(CO)(NCC2(O)CCCCC2)CC1.
What is the InChIKey of 1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is WJVDTXQIBYLIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13-5-9-14(12-17,10-6-13)16-11-15(18)7-3-2-4-8-15/h13,16-18H,2-12H2,1H3.
What are the key properties of 1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol?
1-[[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.21, 4 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]cyclohexan-1-ol is sourced from PubChem (CID 55086559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).