2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal

C14H27NO — CID 62277726

IUPAC2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN1CCCCC1CC
InChIInChI=1S/C14H27NO/c1-4-9-14(3,12-16)11-15-10-7-6-8-13(15)5-2/h12-13H,4-11H2,1-3H3
InChIKeyNTBRCENNLZWXRV-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds6

About 2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal

2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal (PubChem CID 62277726) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal.

Molecular Properties

Compound Name2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal
PubChem CID62277726
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN1CCCCC1CC
InChIInChI=1S/C14H27NO/c1-4-9-14(3,12-16)11-15-10-7-6-8-13(15)5-2/h12-13H,4-11H2,1-3H3
InChIKeyNTBRCENNLZWXRV-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
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

2-[(2-ethylazepan-1-yl)methyl]-2-methylpentanal
CID 104691907
1-(2-ethylazepan-1-yl)-2-methylpentan-2-amine
CID 104690407
2-[(2-ethylazepan-1-yl)methyl]-2-methylpentan-1-ol
CID 113441966
2-[(4-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62277215
2-[(3-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62276202
3-(2-ethylpiperidin-1-yl)-2,2-dimethylpropan-1-ol
CID 62271835
3-(2-ethylazepan-1-yl)-2-methylpropanal
CID 112545832
2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal
CID 62277702
2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal
CID 62278121
1,2-diethylpiperidine
CID 19604037
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropanal
CID 62276374
3-(2-ethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 104691653

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal?
The IUPAC name of 2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal (CID 62277726) is 2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal.
What is the SMILES notation for 2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal?
The canonical SMILES for 2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal is CCCC(C)(C=O)CN1CCCCC1CC.
What is the InChIKey of 2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal?
The InChIKey is NTBRCENNLZWXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-9-14(3,12-16)11-15-10-7-6-8-13(15)5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal?
2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal has a molecular weight of 225.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpiperidin-1-yl)methyl]-2-methylpentanal is sourced from PubChem (CID 62277726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).