N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine

C13H28N2 — CID 114421199

IUPACN-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1CC(C)CCN1)C(C)C
InChIInChI=1S/C13H28N2/c1-5-8-15(11(2)3)10-13-9-12(4)6-7-14-13/h11-14H,5-10H2,1-4H3
InChIKeyPGFMGOLLWJMPOP-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds5

About N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine

N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine (PubChem CID 114421199) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
PubChem CID114421199
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
SMILESCCCN(CC1CC(C)CCN1)C(C)C
InChIInChI=1S/C13H28N2/c1-5-8-15(11(2)3)10-13-9-12(4)6-7-14-13/h11-14H,5-10H2,1-4H3
InChIKeyPGFMGOLLWJMPOP-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 114421378
1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine
CID 114421390
4-methyl-N-propan-2-yl-N-propylpiperidine-2-carboxamide
CID 114422783
ethane;2-ethyl-4-methylpiperidine
CID 142379207
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106603765
[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
2-[(4-methylpiperidin-2-yl)methyl-prop-2-enylamino]ethanol
CID 114421704
N-(2-cyclopropylethyl)-N-propan-2-ylpropan-1-amine
CID 91037766
3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one
CID 165474384
3-methyl-1-(4-methylpiperidin-2-yl)butan-2-one
CID 116685291

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine (CID 114421199) is N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine is CCCN(CC1CC(C)CCN1)C(C)C.
What is the InChIKey of N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine?
The InChIKey is PGFMGOLLWJMPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-8-15(11(2)3)10-13-9-12(4)6-7-14-13/h11-14H,5-10H2,1-4H3.
What are the key properties of N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine?
N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 114421199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).