N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine

C14H31N3 — CID 164861314

IUPACN,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine
SMILESCNCCCCN(C)CCCN1CCCCC1
InChIInChI=1S/C14H31N3/c1-15-9-4-7-10-16(2)11-8-14-17-12-5-3-6-13-17/h15H,3-14H2,1-2H3
InChIKeyJSJUTKOKRFDMNC-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds9

About N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine

N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine (PubChem CID 164861314) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine
PubChem CID164861314
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine
SMILESCNCCCCN(C)CCCN1CCCCC1
InChIInChI=1S/C14H31N3/c1-15-9-4-7-10-16(2)11-8-14-17-12-5-3-6-13-17/h15H,3-14H2,1-2H3
InChIKeyJSJUTKOKRFDMNC-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(azocan-1-yl)-N-methylbutan-1-amine
CID 60841178
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
CID 155107025
N,N'-dimethyl-N'-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]ethane-1,2-diamine
CID 10105808
N,N'-dimethyl-N'-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 10266776
N-methyl-3-pyrrolidin-1-ylpropan-1-amine;molecular hydrogen
CID 143591105
N-(3-methoxypropyl)-N-methyl-3-piperidin-1-ylpropan-1-amine
CID 135181988
N-methyl-5-(4-methyl-1,4-diazepan-1-yl)pentan-1-amine
CID 62418821
N-methyl-3-(2-piperidin-1-ylethoxy)propan-1-amine
CID 62459312
N'-[2-[3-(azetidin-1-yl)propyl-methylamino]ethyl]ethane-1,2-diamine
CID 143661106
3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine
CID 139401057
ethane;N-methyl-5-(4-methylpiperazin-1-yl)pentan-1-amine
CID 165116575

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine?
The IUPAC name of N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine (CID 164861314) is N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine is CNCCCCN(C)CCCN1CCCCC1.
What is the InChIKey of N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine?
The InChIKey is JSJUTKOKRFDMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-15-9-4-7-10-16(2)11-8-14-17-12-5-3-6-13-17/h15H,3-14H2,1-2H3.
What are the key properties of N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine?
N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(3-piperidin-1-ylpropyl)butane-1,4-diamine is sourced from PubChem (CID 164861314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).