ethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine

C14H32N2 — CID 178102277

IUPACethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine
SMILESCC.CNCCN1CCC(CC(C)C)CC1
InChIInChI=1S/C12H26N2.C2H6/c1-11(2)10-12-4-7-14(8-5-12)9-6-13-3;1-2/h11-13H,4-10H2,1-3H3;1-2H3
InChIKeyZKEHMDDBKHKSJB-UHFFFAOYSA-N
MW228.42 g/mol
LogP2.99
Rot. Bonds5

About ethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine

ethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine (PubChem CID 178102277) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is ethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine
PubChem CID178102277
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Nameethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine
SMILESCC.CNCCN1CCC(CC(C)C)CC1
InChIInChI=1S/C12H26N2.C2H6/c1-11(2)10-12-4-7-14(8-5-12)9-6-13-3;1-2/h11-13H,4-10H2,1-3H3;1-2H3
InChIKeyZKEHMDDBKHKSJB-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine?
The IUPAC name of ethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine (CID 178102277) is ethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for ethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine?
The canonical SMILES for ethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine is CC.CNCCN1CCC(CC(C)C)CC1.
What is the InChIKey of ethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine?
The InChIKey is ZKEHMDDBKHKSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.C2H6/c1-11(2)10-12-4-7-14(8-5-12)9-6-13-3;1-2/h11-13H,4-10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine?
ethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine has a molecular weight of 228.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-[4-(2-methylpropyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 178102277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).