2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine

C13H28N2 — CID 43749022

IUPAC2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
SMILESCCC(C)CNC(C)CN1CCCCC1
InChIInChI=1S/C13H28N2/c1-4-12(2)10-14-13(3)11-15-8-6-5-7-9-15/h12-14H,4-11H2,1-3H3
InChIKeyXEWZVTQLMOIUMH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About 2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine

2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine (PubChem CID 43749022) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
PubChem CID43749022
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
SMILESCCC(C)CNC(C)CN1CCCCC1
InChIInChI=1S/C13H28N2/c1-4-12(2)10-14-13(3)11-15-8-6-5-7-9-15/h12-14H,4-11H2,1-3H3
InChIKeyXEWZVTQLMOIUMH-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 43675679
1-(1-piperidin-1-ylpropan-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 61499979
2-N-(2-methyl-3-piperidin-1-ylpropyl)propane-1,2-diamine
CID 103389396
N-(1-ethoxypropan-2-yl)-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115710179
3-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine
CID 43434983
N-(1-piperidin-1-ylpropan-2-yl)hexan-1-amine
CID 43749038
1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
3-hydroxy-4-(1-piperidin-1-ylpropan-2-ylamino)butanoic acid
CID 103247695
N-(1-cyclopropylpropyl)-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 64918005
1-(dimethylamino)-3-(1-piperidin-1-ylpropan-2-ylamino)propan-2-ol
CID 54960254
N-(2-fluoroethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 80693865
N-(cyclohexylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 61223586

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine?
The IUPAC name of 2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine (CID 43749022) is 2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine is CCC(C)CNC(C)CN1CCCCC1.
What is the InChIKey of 2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine?
The InChIKey is XEWZVTQLMOIUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-12(2)10-14-13(3)11-15-8-6-5-7-9-15/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine?
2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-piperidin-1-ylpropan-2-yl)butan-1-amine is sourced from PubChem (CID 43749022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).