N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine

C11H25N3 — CID 117239062

IUPACN',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCN(C)CC(CN)C1CCN(C)CC1
InChIInChI=1S/C11H25N3/c1-13(2)9-11(8-12)10-4-6-14(3)7-5-10/h10-11H,4-9,12H2,1-3H3
InChIKeyZZKLCUFQJMIVHT-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.46
Rot. Bonds4

About N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine

N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 117239062) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine
PubChem CID117239062
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCN(C)CC(CN)C1CCN(C)CC1
InChIInChI=1S/C11H25N3/c1-13(2)9-11(8-12)10-4-6-14(3)7-5-10/h10-11H,4-9,12H2,1-3H3
InChIKeyZZKLCUFQJMIVHT-UHFFFAOYSA-N
XLogP0.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dimethyl-2-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237610
2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine
CID 117245609
2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine
CID 165466127
2-(1-methylpiperidin-4-yl)-3-methylsulfanylpropan-1-amine
CID 117239456
2-(dimethylamino)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238580
N,N-dimethyl-1-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 82406005
3-(4-methoxyphenoxy)-2-(1-methylpiperidin-4-yl)propan-1-amine
CID 117239407
2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 106114460
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
N',2-dimethyl-N'-[2-(1-methylpiperidin-4-yl)ethyl]propane-1,3-diamine
CID 115198906
1-(dimethylamino)butan-2-ol;ethane;1-methylpiperidin-4-ol
CID 166075862
(2S)-1-N-methyl-1-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 7138359

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine (CID 117239062) is N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine is CN(C)CC(CN)C1CCN(C)CC1.
What is the InChIKey of N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is ZZKLCUFQJMIVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-13(2)9-11(8-12)10-4-6-14(3)7-5-10/h10-11H,4-9,12H2,1-3H3.
What are the key properties of N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine?
N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 117239062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).