2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine

C11H25N3 — CID 63840214

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
SMILESCC1CCN(CCN(C)C)C(CN)C1
InChIInChI=1S/C11H25N3/c1-10-4-5-14(7-6-13(2)3)11(8-10)9-12/h10-11H,4-9,12H2,1-3H3
InChIKeyBLGMWDYTPZVAGZ-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.61
Rot. Bonds4

About 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine (PubChem CID 63840214) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
PubChem CID63840214
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
SMILESCC1CCN(CCN(C)C)C(CN)C1
InChIInChI=1S/C11H25N3/c1-10-4-5-14(7-6-13(2)3)11(8-10)9-12/h10-11H,4-9,12H2,1-3H3
InChIKeyBLGMWDYTPZVAGZ-UHFFFAOYSA-N
XLogP0.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-butyl-4-methylpiperidin-2-yl)methanamine
CID 63839555
[1-(3,3-dimethylbutyl)-4-methylpiperidin-2-yl]methanamine
CID 63841352
[4-methyl-1-(4-methylpentyl)piperidin-2-yl]methanamine
CID 83158891
[4-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-2-yl]methanamine
CID 103441948
[4-methyl-1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methanamine
CID 63841522
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 103441770
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 63839894
5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2,2-dimethylpentanenitrile
CID 103441934
[1-[(E)-3-chloroprop-2-enyl]-4-methylpiperidin-2-yl]methanamine
CID 103441569
[1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 65446764
2-(aminomethyl)-N,N,4-trimethylpiperidine-1-carboxamide
CID 103441346
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide
CID 103441903

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine (CID 63840214) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine is CC1CCN(CCN(C)C)C(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine?
The InChIKey is BLGMWDYTPZVAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10-4-5-14(7-6-13(2)3)11(8-10)9-12/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine has a molecular weight of 199.34 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 63840214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).