2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine

C14H30N2 — CID 64571082

IUPAC2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
SMILESCC(C)C(C)CNC(C)C1CCCN(C)C1
InChIInChI=1S/C14H30N2/c1-11(2)12(3)9-15-13(4)14-7-6-8-16(5)10-14/h11-15H,6-10H2,1-5H3
InChIKeyWXWSZOQPDMQYMS-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.60
Rot. Bonds5

About 2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine

2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine (PubChem CID 64571082) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
PubChem CID64571082
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
SMILESCC(C)C(C)CNC(C)C1CCCN(C)C1
InChIInChI=1S/C14H30N2/c1-11(2)12(3)9-15-13(4)14-7-6-8-16(5)10-14/h11-15H,6-10H2,1-5H3
InChIKeyWXWSZOQPDMQYMS-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-methylpiperidin-3-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 54899364
3-[1-(1-methylpiperidin-3-yl)ethylamino]propane-1,2-diol
CID 66176759
4-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]pentan-1-amine
CID 61044364
1-(1-methylpiperidin-3-yl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43308264
2-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]prop-2-en-1-amine
CID 114615500
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308727
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
N'-[1-(1-methylpiperidin-3-yl)ethyl]butane-1,4-diamine
CID 60896171
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]but-2-en-1-amine
CID 103522776
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 103902104
2,2,3,3-tetrafluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]propan-1-amine
CID 114168984
2-[1-(1-methylpiperidin-3-yl)ethylamino]acetamide
CID 43307274

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine (CID 64571082) is 2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine is CC(C)C(C)CNC(C)C1CCCN(C)C1.
What is the InChIKey of 2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine?
The InChIKey is WXWSZOQPDMQYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)12(3)9-15-13(4)14-7-6-8-16(5)10-14/h11-15H,6-10H2,1-5H3.
What are the key properties of 2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine?
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine is sourced from PubChem (CID 64571082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).