2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine

C12H27N3 — CID 117024844

IUPAC2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(CN)C(C)(C)C1
InChIInChI=1S/C12H27N3/c1-12(2)10-15(8-7-14(3)4)6-5-11(12)9-13/h11H,5-10,13H2,1-4H3
InChIKeyIXTGOUDFDIVRKC-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.85
Rot. Bonds4

About 2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine

2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine (PubChem CID 117024844) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine
PubChem CID117024844
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCN1CCC(CN)C(C)(C)C1
InChIInChI=1S/C12H27N3/c1-12(2)10-15(8-7-14(3)4)6-5-11(12)9-13/h11H,5-10,13H2,1-4H3
InChIKeyIXTGOUDFDIVRKC-UHFFFAOYSA-N
XLogP0.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethyl-4-piperazin-1-ylpiperidin-1-yl)-N,N-dimethylethanamine
CID 117025050
2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid
CID 117024633
2-[3,3-dimethyl-1-(3-methylbutyl)piperidin-4-yl]ethanamine
CID 117024798
1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidine-4-carbonitrile
CID 117024502
2-[4-[[4-(aminomethyl)cyclohexyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 79533305
2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine
CID 117005638
2-(3,3-dimethyl-1-propylpiperidin-4-yl)ethanol
CID 117024655
6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2,2-dimethylcyclohexan-1-amine
CID 79829186
N,N-dimethyl-2-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 106318786
1-[2-(dimethylamino)ethyl]-3-ethylpiperidin-4-ol
CID 114511210
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
CID 63840214
(2,2-dimethylcyclohexyl)methanamine
CID 22484483

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine (CID 117024844) is 2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine is CN(C)CCN1CCC(CN)C(C)(C)C1.
What is the InChIKey of 2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine?
The InChIKey is IXTGOUDFDIVRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(2)10-15(8-7-14(3)4)6-5-11(12)9-13/h11H,5-10,13H2,1-4H3.
What are the key properties of 2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine?
2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine has a molecular weight of 213.37 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3,3-dimethylpiperidin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 117024844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).