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

C10H23N3 — CID 62545866

IUPACN'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
SMILESCN1CCCC(N(C)CCCN)C1
InChIInChI=1S/C10H23N3/c1-12-7-3-5-10(9-12)13(2)8-4-6-11/h10H,3-9,11H2,1-2H3
InChIKeyIDLARUCQUBLUEK-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.36
Rot. Bonds4

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

N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine (PubChem CID 62545866) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
PubChem CID62545866
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC NameN'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
SMILESCN1CCCC(N(C)CCCN)C1
InChIInChI=1S/C10H23N3/c1-12-7-3-5-10(9-12)13(2)8-4-6-11/h10H,3-9,11H2,1-2H3
InChIKeyIDLARUCQUBLUEK-UHFFFAOYSA-N
XLogP0.36
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexyl-N,1-dimethylpiperidin-3-amine
CID 71906386
9-[methyl-(1-methylpiperidin-3-yl)amino]nonane-1-thiol
CID 105343956
2-[methyl-[(3R)-1-methylpiperidin-3-yl]amino]ethanol
CID 66565626
N'-hydroxy-5-[methyl-(1-methylpiperidin-3-yl)amino]pentanimidamide
CID 55084848
N-[2-(4-aminopiperidin-1-yl)ethyl]-N,1-dimethylpiperidin-3-amine
CID 79327766
N-[[4-(aminomethyl)cyclohexyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 79532954
N,N,N'-trimethyl-N'-[(3S)-1-methylpyrrolidin-3-yl]propane-1,3-diamine
CID 118516090
4-amino-1-[methyl-(1-methylpiperidin-3-yl)amino]butan-2-ol
CID 117039168
N'-methyl-N'-(1-methylpiperidin-3-yl)-N-(2-methylpropyl)propane-1,3-diamine
CID 62547703
N-(methoxymethyl)-N,1-dimethylpiperidin-3-amine
CID 115258466
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
ethyl 3-[methyl-(1-methylpiperidin-3-yl)amino]propanoate
CID 62546082

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine (CID 62545866) is N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine is CN1CCCC(N(C)CCCN)C1.
What is the InChIKey of N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
The InChIKey is IDLARUCQUBLUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-12-7-3-5-10(9-12)13(2)8-4-6-11/h10H,3-9,11H2,1-2H3.
What are the key properties of N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine?
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.36, 4 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)propane-1,3-diamine is sourced from PubChem (CID 62545866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).