1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde

C14H25NO2 — CID 82743523

IUPAC1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde
SMILESCN(CC1(C=O)CCCCCC1)C1CCOC1
InChIInChI=1S/C14H25NO2/c1-15(13-6-9-17-10-13)11-14(12-16)7-4-2-3-5-8-14/h12-13H,2-11H2,1H3
InChIKeyYAEMVWTWVLPLOW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.25
Rot. Bonds4

About 1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde

1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde (PubChem CID 82743523) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde
PubChem CID82743523
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde
SMILESCN(CC1(C=O)CCCCCC1)C1CCOC1
InChIInChI=1S/C14H25NO2/c1-15(13-6-9-17-10-13)11-14(12-16)7-4-2-3-5-8-14/h12-13H,2-11H2,1H3
InChIKeyYAEMVWTWVLPLOW-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[methyl-(4-methylcyclohexyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275706
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyloxolan-3-amine
CID 82747858
2-[methyl(oxolan-3-yl)amino]acetaldehyde
CID 82742163
[1-[[methyl(oxolan-3-yl)amino]methyl]cyclopropyl]methanethiol
CID 82744739
N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82744183
N-[[4-(bromomethyl)oxan-4-yl]methyl]-N-methyloxolan-3-amine
CID 82748066
4-[[(2-hydroxycyclohexyl)-methylamino]methyl]oxane-4-carbaldehyde
CID 102636939
N,N'-dimethyl-N,N'-bis[(3S)-oxolan-3-yl]but-2-yne-1,4-diamine
CID 124729941
1-[[cyclopentyl(ethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62275816
1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 114953386
4-[[methyl(oxan-3-yl)amino]methyl]oxan-4-ol
CID 104985620
N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine
CID 82743297

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde?
The IUPAC name of 1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde (CID 82743523) is 1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde.
What is the SMILES notation for 1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde?
The canonical SMILES for 1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde is CN(CC1(C=O)CCCCCC1)C1CCOC1.
What is the InChIKey of 1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde?
The InChIKey is YAEMVWTWVLPLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-15(13-6-9-17-10-13)11-14(12-16)7-4-2-3-5-8-14/h12-13H,2-11H2,1H3.
What are the key properties of 1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde?
1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde has a molecular weight of 239.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(oxolan-3-yl)amino]methyl]cycloheptane-1-carbaldehyde is sourced from PubChem (CID 82743523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).