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

C13H28N2 — CID 107068950

IUPACN-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC1NCCCC1C
InChIInChI=1S/C13H28N2/c1-4-9-15(10-5-2)11-13-12(3)7-6-8-14-13/h12-14H,4-11H2,1-3H3
InChIKeyJNYCRAUDBPZBIN-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

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

N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine (PubChem CID 107068950) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine
PubChem CID107068950
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)CC1NCCCC1C
InChIInChI=1S/C13H28N2/c1-4-9-15(10-5-2)11-13-12(3)7-6-8-14-13/h12-14H,4-11H2,1-3H3
InChIKeyJNYCRAUDBPZBIN-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

3-methyl-N-(3-methylbutyl)-N-[(3-methylpiperidin-2-yl)methyl]butan-1-amine
CID 107870115
N-(cyclobutylmethyl)-N-[(3-methylpiperidin-2-yl)methyl]ethanamine
CID 107399335
N-methyl-N-[(3-methylpiperidin-2-yl)methyl]pentan-2-amine
CID 107069020
N-methyl-N-[(3-methylpiperidin-2-yl)methyl]propan-2-amine
CID 107068970
1-cyclopentyl-N-methyl-N-[(3-methylpiperidin-2-yl)methyl]methanamine
CID 107069267
N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]propan-1-amine
CID 107069000
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
(3-methylpiperidin-2-yl)methanol
CID 19898861
N-(cyclopropylmethyl)-N-[(3-methylpiperidin-2-yl)methyl]propan-2-amine
CID 107069115
N-(2-cyclopropylethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615993
N-methyl-N-[(3-methylpiperidin-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 107069430

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine (CID 107068950) is N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine is CCCN(CCC)CC1NCCCC1C.
What is the InChIKey of N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine?
The InChIKey is JNYCRAUDBPZBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-9-15(10-5-2)11-13-12(3)7-6-8-14-13/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine?
N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-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 N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 107068950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).