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

C13H28N2 — CID 43308727

IUPAC3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine
SMILESCC(C)C(C)NC(C)C1CCCN(C)C1
InChIInChI=1S/C13H28N2/c1-10(2)11(3)14-12(4)13-7-6-8-15(5)9-13/h10-14H,6-9H2,1-5H3
InChIKeyWHBUPIWJWAVRBH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds4

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

3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine (PubChem CID 43308727) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine
PubChem CID43308727
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine
SMILESCC(C)C(C)NC(C)C1CCCN(C)C1
InChIInChI=1S/C13H28N2/c1-10(2)11(3)14-12(4)13-7-6-8-15(5)9-13/h10-14H,6-9H2,1-5H3
InChIKeyWHBUPIWJWAVRBH-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
3-methyl-N-[1-(1-propylpiperidin-3-yl)ethyl]butan-2-amine
CID 43308725
methyl (2S)-3-methyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]butanoate
CID 61142649
2,3-dimethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-1-amine
CID 64571082
N-methyl-1-(1-methylazepan-3-yl)ethanamine
CID 83905848
1-N,1-N,4-trimethyl-2-N-[1-(1-methylpiperidin-3-yl)ethyl]pentane-1,2-diamine
CID 43751567
N-[cyclopropyl(phenyl)methyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43724248
N-[1-(2-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43308252
1-(1-methylpiperidin-3-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720415
2-[1-(1-methylpiperidin-3-yl)ethylamino]-3-phenylpropan-1-ol
CID 63261055
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine (CID 43308727) is 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine is CC(C)C(C)NC(C)C1CCCN(C)C1.
What is the InChIKey of 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine?
The InChIKey is WHBUPIWJWAVRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)11(3)14-12(4)13-7-6-8-15(5)9-13/h10-14H,6-9H2,1-5H3.
What are the key properties of 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine?
3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(1-methylpiperidin-3-yl)ethyl]butan-2-amine is sourced from PubChem (CID 43308727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).