N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine

C12H27N3 — CID 155107025

IUPACN'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
SMILESCN(CCCN)CCCN1CCCCC1
InChIInChI=1S/C12H27N3/c1-14(8-5-7-13)9-6-12-15-10-3-2-4-11-15/h2-13H2,1H3
InChIKeyZWVPYSWRNNAHGS-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds7

About N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine

N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine (PubChem CID 155107025) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
PubChem CID155107025
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
SMILESCN(CCCN)CCCN1CCCCC1
InChIInChI=1S/C12H27N3/c1-14(8-5-7-13)9-6-12-15-10-3-2-4-11-15/h2-13H2,1H3
InChIKeyZWVPYSWRNNAHGS-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine
CID 143661106
N-(3-methoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 135181988
N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine
CID 164861314
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine
CID 139401057
N'-(2-aminoethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62923470
N'-methyl-N'-[2-(2-pyrrolidin-1-ylethoxy)ethyl]ethane-1,2-diamine
CID 118889595
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine (CID 155107025) is N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine is CN(CCCN)CCCN1CCCCC1.
What is the InChIKey of N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine?
The InChIKey is ZWVPYSWRNNAHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-14(8-5-7-13)9-6-12-15-10-3-2-4-11-15/h2-13H2,1H3.
What are the key properties of N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine?
N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine is sourced from PubChem (CID 155107025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).