1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde

C13H25NO — CID 62278291

IUPAC1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCCCCCN(C)CC1(C=O)CCCC1
InChIInChI=1S/C13H25NO/c1-3-4-7-10-14(2)11-13(12-15)8-5-6-9-13/h12H,3-11H2,1-2H3
InChIKeyNVEVYWJHXKPJLA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds7

About 1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde

1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde (PubChem CID 62278291) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde
PubChem CID62278291
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde
SMILESCCCCCN(C)CC1(C=O)CCCC1
InChIInChI=1S/C13H25NO/c1-3-4-7-10-14(2)11-13(12-15)8-5-6-9-13/h12H,3-11H2,1-2H3
InChIKeyNVEVYWJHXKPJLA-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[[5-hydroxypentyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 107204515
1-[[methyl(2-methylsulfanylethyl)amino]methyl]cyclopentane-1-carbaldehyde
CID 112664517
3-[[butyl(methyl)amino]methyl]oxolane-3-carbaldehyde
CID 62276558
3-[[methyl(propyl)amino]methyl]oxane-3-carbaldehyde
CID 63741857
4-[[methyl(propyl)amino]methyl]oxane-4-carbaldehyde
CID 62391267
1-[[dodecyl(methyl)amino]methyl]cyclopentan-1-ol
CID 114952592
1-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]cycloheptane-1-carbaldehyde
CID 114953362
1-[[2-hydroxypropyl(methyl)amino]methyl]cyclohexane-1-carbaldehyde
CID 62336784
1-[[methyl(propan-2-yl)amino]methyl]cyclopentane-1-carbaldehyde
CID 62277518
N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]pentan-1-amine
CID 62264045
1-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]cyclopentane-1-carbaldehyde
CID 114953386
1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271739

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde (CID 62278291) is 1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde is CCCCCN(C)CC1(C=O)CCCC1.
What is the InChIKey of 1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde?
The InChIKey is NVEVYWJHXKPJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-4-7-10-14(2)11-13(12-15)8-5-6-9-13/h12H,3-11H2,1-2H3.
What are the key properties of 1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde?
1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde has a molecular weight of 211.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(pentyl)amino]methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 62278291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).