1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde

C14H25NO3 — CID 114953386

IUPAC1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
SMILESCN(CC1(O)CCOCC1)CC1(C=O)CCCC1
InChIInChI=1S/C14H25NO3/c1-15(10-13(12-16)4-2-3-5-13)11-14(17)6-8-18-9-7-14/h12,17H,2-11H2,1H3
InChIKeyLDOFEYKAFXDVGZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.22
Rot. Bonds5

About 1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde

1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 114953386) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
PubChem CID114953386
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
SMILESCN(CC1(O)CCOCC1)CC1(C=O)CCCC1
InChIInChI=1S/C14H25NO3/c1-15(10-13(12-16)4-2-3-5-13)11-14(17)6-8-18-9-7-14/h12,17H,2-11H2,1H3
InChIKeyLDOFEYKAFXDVGZ-UHFFFAOYSA-N
XLogP1.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde
CID 114953362
4-[[(1-hydroxycyclohexyl)methyl-methylamino]methyl]oxan-4-ol
CID 114951907
4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde
CID 62391267
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2,2-dimethylpropanal
CID 114953407
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
CID 62390393
4-[[cyclopropylmethyl(methyl)amino]methyl]oxane-4-carbaldehyde
CID 62390920
4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol
CID 114953652
4-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]oxan-4-ol
CID 114952439
1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 62336784
4-[[[4-(aminomethyl)oxan-4-yl]methyl-methylamino]methyl]oxan-4-ol
CID 114953654
4-[[methyl(2-methylpropyl)amino]methyl]oxan-4-ol
CID 115749283

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde (CID 114953386) is 1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde is CN(CC1(O)CCOCC1)CC1(C=O)CCCC1.
What is the InChIKey of 1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is LDOFEYKAFXDVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-15(10-13(12-16)4-2-3-5-13)11-14(17)6-8-18-9-7-14/h12,17H,2-11H2,1H3.
What are the key properties of 1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde?
1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 255.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 114953386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).