2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine

C13H28N2 — CID 62580066

IUPAC2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
SMILESCCCN1CCCCC1CNCC(C)C
InChIInChI=1S/C13H28N2/c1-4-8-15-9-6-5-7-13(15)11-14-10-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyRAQOKABBXQHECP-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About 2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine

2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine (PubChem CID 62580066) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
PubChem CID62580066
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine
SMILESCCCN1CCCCC1CNCC(C)C
InChIInChI=1S/C13H28N2/c1-4-8-15-9-6-5-7-13(15)11-14-10-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyRAQOKABBXQHECP-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-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63528021
N-[(1-hexylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 63528195
N-[[1-(2-fluoroethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 80693920
2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579879
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
2-methyl-N-[[1-(3-methylsulfanylpropyl)piperidin-2-yl]methyl]propan-1-amine
CID 113473678
N-[[1-(methoxymethyl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65364305
2-methyl-N-[[1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 106725781
2-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62579878
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
2-methyl-N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 64567531

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine (CID 62580066) is 2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine is CCCN1CCCCC1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine?
The InChIKey is RAQOKABBXQHECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-8-15-9-6-5-7-13(15)11-14-10-12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-1-amine?
2-methyl-N-[(1-propylpiperidin-2-yl)methyl]propan-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-propylpiperidin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62580066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).