N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine

C14H31N3 — CID 62547703

IUPACN'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCCCN(C)C1CCCN(C)C1
InChIInChI=1S/C14H31N3/c1-13(2)11-15-8-6-10-17(4)14-7-5-9-16(3)12-14/h13-15H,5-12H2,1-4H3
InChIKeyQHMAEJXQULVAQL-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds7

About N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine

N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62547703) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine
PubChem CID62547703
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCCCN(C)C1CCCN(C)C1
InChIInChI=1S/C14H31N3/c1-13(2)11-15-8-6-10-17(4)14-7-5-9-16(3)12-14/h13-15H,5-12H2,1-4H3
InChIKeyQHMAEJXQULVAQL-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
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

N'-methyl-N-(5-methylhexan-2-yl)-N'-(1-methylpiperidin-3-yl)ethane-1,2-diamine
CID 62560698
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-3-N-propylbutane-1,3-diamine
CID 62546063
9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol
CID 105343956
N'-methyl-N'-(3-methylcyclohexyl)-N-(2-methylpropyl)butane-1,4-diamine
CID 62429150
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
2-ethyl-5-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808674
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexan-1-ol
CID 64787613
2-methyl-6-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)hexanenitrile
CID 62546459

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine (CID 62547703) is N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine is CC(C)CNCCCN(C)C1CCCN(C)C1.
What is the InChIKey of N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is QHMAEJXQULVAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2)11-15-8-6-10-17(4)14-7-5-9-16(3)12-14/h13-15H,5-12H2,1-4H3.
What are the key properties of N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine?
N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62547703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).