N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide

C12H27N5 — CID 143130080

IUPACN,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide
SMILESCNCCN(C)C1CCN(C)CC1.[H]/N=C/N=C
InChIInChI=1S/C10H23N3.C2H4N2/c1-11-6-9-13(3)10-4-7-12(2)8-5-10;1-4-2-3/h10-11H,4-9H2,1-3H3;2-3H,1H2/b;3-2+
InChIKeyUFOQIQGMDWDSLF-ZPYUXNTASA-N
MW241.38 g/mol
LogP0.53
Rot. Bonds5

About N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide

N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide (PubChem CID 143130080) has the molecular formula C12H27N5 and a molecular weight of 241.38 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide
PubChem CID143130080
Molecular FormulaC12H27N5
Molecular Weight241.38 g/mol
Exact Mass241.23
IUPAC NameN,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide
SMILESCNCCN(C)C1CCN(C)CC1.[H]/N=C/N=C
InChIInChI=1S/C10H23N3.C2H4N2/c1-11-6-9-13(3)10-4-7-12(2)8-5-10;1-4-2-3/h10-11H,4-9H2,1-3H3;2-3H,1H2/b;3-2+
InChIKeyUFOQIQGMDWDSLF-ZPYUXNTASA-N
XLogP0.53
TPSA54.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;N,N,N'-trimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 144721860
N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62574097
N,N'-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyridazin-3-yl]ethane-1,2-diamine
CID 116973312
N,N'-dimethyl-N'-(3-methylcyclopentyl)ethane-1,2-diamine
CID 64514284
N,N'-dimethyl-N'-(oxetan-3-yl)ethane-1,2-diamine;ethane
CID 145029071
N-[2-(azetidin-3-yl)ethyl]-N,1-dimethylpiperidin-4-amine
CID 116679267
N-(3-methoxypropyl)-N,1-dimethylpiperidin-4-amine
CID 166948035
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62576103
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]acetamide
CID 110441171
1-[4-[methyl-[3-(methylamino)propyl]amino]piperidin-1-yl]ethanone
CID 70287860
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide?
The IUPAC name of N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide (CID 143130080) is N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide.
What is the SMILES notation for N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide?
The canonical SMILES for N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide is CNCCN(C)C1CCN(C)CC1.[H]/N=C/N=C.
What is the InChIKey of N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide?
The InChIKey is UFOQIQGMDWDSLF-ZPYUXNTASA-N. The full InChI is InChI=1S/C10H23N3.C2H4N2/c1-11-6-9-13(3)10-4-7-12(2)8-5-10;1-4-2-3/h10-11H,4-9H2,1-3H3;2-3H,1H2/b;3-2+.
What are the key properties of N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide?
N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide has a molecular weight of 241.38 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine;N-methylidenemethanimidamide is sourced from PubChem (CID 143130080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).