2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal

C13H25NO — CID 62862235

IUPAC2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(C)CC1CCC1
InChIInChI=1S/C13H25NO/c1-4-8-13(2,11-15)10-14(3)9-12-6-5-7-12/h11-12H,4-10H2,1-3H3
InChIKeyZQCQUXFIUMWCKX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds7

About 2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal

2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal (PubChem CID 62862235) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal.

Molecular Properties

Compound Name2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal
PubChem CID62862235
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(C)CC1CCC1
InChIInChI=1S/C13H25NO/c1-4-8-13(2,11-15)10-14(3)9-12-6-5-7-12/h11-12H,4-10H2,1-3H3
InChIKeyZQCQUXFIUMWCKX-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
CID 63495625
2-(bromomethyl)-N-(cyclobutylmethyl)-N-methyl-2-propylpentan-1-amine
CID 65005083
N'-(cyclohexylmethyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62259886
N-(cyclopentylmethyl)-N,2,2-trimethylbutan-1-amine
CID 138459636
2-methyl-2-propylpentanal
CID 12587446
1-N-(cyclobutylmethyl)-2-ethyl-1-N-methylbutane-1,2-diamine
CID 79813469
2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]-2-methylpentanal
CID 114953397
2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62276202
1-N-(cyclohexylmethyl)-2-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 62834837
N,2-dimethyl-N-(oxan-4-ylmethyl)-N',2-dipropylpropane-1,3-diamine
CID 63713052
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanal
CID 63274650
3-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpropan-1-ol
CID 64786271

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal?
The IUPAC name of 2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal (CID 62862235) is 2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal.
What is the SMILES notation for 2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal?
The canonical SMILES for 2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal is CCCC(C)(C=O)CN(C)CC1CCC1.
What is the InChIKey of 2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal?
The InChIKey is ZQCQUXFIUMWCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-8-13(2,11-15)10-14(3)9-12-6-5-7-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal?
2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal has a molecular weight of 211.35 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutylmethyl(methyl)amino]methyl]-2-methylpentanal is sourced from PubChem (CID 62862235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).