1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde

C14H27NO2 — CID 107204515

IUPAC1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCN(CCCCCO)CC1(C=O)CCCCC1
InChIInChI=1S/C14H27NO2/c1-15(10-6-3-7-11-16)12-14(13-17)8-4-2-5-9-14/h13,16H,2-12H2,1H3
InChIKeyFYLPTLDDKRYCDE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.23
Rot. Bonds8

About 1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde

1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde (PubChem CID 107204515) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
PubChem CID107204515
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
SMILESCN(CCCCCO)CC1(C=O)CCCCC1
InChIInChI=1S/C14H27NO2/c1-15(10-6-3-7-11-16)12-14(13-17)8-4-2-5-9-14/h13,16H,2-12H2,1H3
InChIKeyFYLPTLDDKRYCDE-UHFFFAOYSA-N
XLogP2.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62278291
1-[[6-hydroxyhexyl(methyl)amino]methyl]cyclopentan-1-ol
CID 103839075
1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde
CID 114953362
1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 62336784
1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 112664517
5-[methyl-[[1-(methylaminomethyl)cyclohexyl]methyl]amino]pentan-1-ol
CID 107204564
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
CID 19982345
1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 114953386
3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol
CID 114230934
3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63741857
4-[[5-hydroxypentyl(methyl)amino]methyl]oxan-4-ol
CID 114951905
1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 62276380

Frequently Asked Questions

What is the IUPAC name of 1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde (CID 107204515) is 1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde is CN(CCCCCO)CC1(C=O)CCCCC1.
What is the InChIKey of 1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde?
The InChIKey is FYLPTLDDKRYCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-15(10-6-3-7-11-16)12-14(13-17)8-4-2-5-9-14/h13,16H,2-12H2,1H3.
What are the key properties of 1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde?
1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde has a molecular weight of 241.37 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 107204515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).