[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol

C15H29NO2 — CID 103903221

IUPAC[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESCC(NCC1(CO)CCCCC1)C1CCOCC1
InChIInChI=1S/C15H29NO2/c1-13(14-5-9-18-10-6-14)16-11-15(12-17)7-3-2-4-8-15/h13-14,16-17H,2-12H2,1H3
InChIKeyDQZAOSRDEJDFPP-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.33
Rot. Bonds5

About [1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol

[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol (PubChem CID 103903221) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is [1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol
PubChem CID103903221
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol
SMILESCC(NCC1(CO)CCCCC1)C1CCOCC1
InChIInChI=1S/C15H29NO2/c1-13(14-5-9-18-10-6-14)16-11-15(12-17)7-3-2-4-8-15/h13-14,16-17H,2-12H2,1H3
InChIKeyDQZAOSRDEJDFPP-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-cyclopentylethylamino)methyl]cyclohexyl]methanol
CID 81419658
1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719665
N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115889581
2-[1-[(1-cyclopentylethylamino)methyl]cyclobutyl]ethanol
CID 115894754
1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 115893016
1-[[[(1R)-1-cyclohexylethyl]amino]methyl]cyclohexan-1-ol
CID 81385046
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800
[1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol
CID 81419360
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002
N,N-dimethyl-1-[[1-(oxolan-3-yl)ethylamino]methyl]cyclopentan-1-amine
CID 115707728
1-[(1-cyclobutylethylamino)methyl]cyclopentan-1-ol
CID 115719650
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol (CID 103903221) is [1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol is CC(NCC1(CO)CCCCC1)C1CCOCC1.
What is the InChIKey of [1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol?
The InChIKey is DQZAOSRDEJDFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-13(14-5-9-18-10-6-14)16-11-15(12-17)7-3-2-4-8-15/h13-14,16-17H,2-12H2,1H3.
What are the key properties of [1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol?
[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol has a molecular weight of 255.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103903221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).