N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine

C11H25N3 — CID 115196067

IUPACN-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine
SMILESCNCCNCCC1CCCN(C)C1
InChIInChI=1S/C11H25N3/c1-12-7-8-13-6-5-11-4-3-9-14(2)10-11/h11-13H,3-10H2,1-2H3
InChIKeyRQMJEFQYBSJVQL-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.53
Rot. Bonds6

About N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine

N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine (PubChem CID 115196067) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine
PubChem CID115196067
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine
SMILESCNCCNCCC1CCCN(C)C1
InChIInChI=1S/C11H25N3/c1-12-7-8-13-6-5-11-4-3-9-14(2)10-11/h11-13H,3-10H2,1-2H3
InChIKeyRQMJEFQYBSJVQL-UHFFFAOYSA-N
XLogP0.53
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-N-[2-(1-methylpiperidin-3-yl)ethyl]pentane-1,4-diamine
CID 115205476
N-ethyl-N'-[2-(1-methylpyrrolidin-3-yl)ethyl]ethane-1,2-diamine
CID 115206064
2,2-dimethyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,3-diamine
CID 115200230
1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
CID 115132980
2-(1-methylpiperidin-3-yl)-N-(2-morpholin-3-ylethyl)ethanamine
CID 115239031
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 115208430
3-methyl-2-[[2-(1-methylpiperidin-3-yl)ethylamino]methyl]butanenitrile
CID 115254668
3-(1-methylpiperidin-3-yl)propanal
CID 83905184
2-(1-methylpiperidin-3-yl)ethylurea
CID 115168583
1-[3-[2-(methylamino)ethyl]piperidin-1-yl]-2-(1-methylpiperidin-4-yl)ethanone
CID 168881883
3,3-dimethyl-4-[2-(1-methylpiperidin-3-yl)ethylamino]butanoic acid
CID 115220443
1-(1-methylpiperidin-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine
CID 62659433

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine (CID 115196067) is N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine is CNCCNCCC1CCCN(C)C1.
What is the InChIKey of N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine?
The InChIKey is RQMJEFQYBSJVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-12-7-8-13-6-5-11-4-3-9-14(2)10-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine?
N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115196067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).