ethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide

C13H28N2O — CID 145081435

IUPACethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide
SMILESCC.CC(C)N1CCC(CN(C)C=O)CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-10(2)13-6-4-11(5-7-13)8-12(3)9-14;1-2/h9-11H,4-8H2,1-3H3;1-2H3
InChIKeyQMDQLXMHJAXGDP-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.22
Rot. Bonds4

About ethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide

ethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide (PubChem CID 145081435) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide.

Molecular Properties

Compound Nameethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide
PubChem CID145081435
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide
SMILESCC.CC(C)N1CCC(CN(C)C=O)CC1
InChIInChI=1S/C11H22N2O.C2H6/c1-10(2)13-6-4-11(5-7-13)8-12(3)9-14;1-2/h9-11H,4-8H2,1-3H3;1-2H3
InChIKeyQMDQLXMHJAXGDP-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide?
The IUPAC name of ethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide (CID 145081435) is ethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide.
What is the SMILES notation for ethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide?
The canonical SMILES for ethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide is CC.CC(C)N1CCC(CN(C)C=O)CC1.
What is the InChIKey of ethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide?
The InChIKey is QMDQLXMHJAXGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-10(2)13-6-4-11(5-7-13)8-12(3)9-14;1-2/h9-11H,4-8H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide?
ethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide has a molecular weight of 228.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]formamide is sourced from PubChem (CID 145081435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).