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

C12H26N4 — CID 170022411

IUPACN-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine
SMILESCNCCNC1CN(C2CCCN(C)C2)C1
InChIInChI=1S/C12H26N4/c1-13-5-6-14-11-8-16(9-11)12-4-3-7-15(2)10-12/h11-14H,3-10H2,1-2H3
InChIKeyOVNAILDXJIFLLT-UHFFFAOYSA-N
MW226.37 g/mol
LogP-0.43
Rot. Bonds5

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

N-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine (PubChem CID 170022411) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is N-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine
PubChem CID170022411
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC NameN-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine
SMILESCNCCNC1CN(C2CCCN(C)C2)C1
InChIInChI=1S/C12H26N4/c1-13-5-6-14-11-8-16(9-11)12-4-3-7-15(2)10-12/h11-14H,3-10H2,1-2H3
InChIKeyOVNAILDXJIFLLT-UHFFFAOYSA-N
XLogP-0.43
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 115197757
N-ethyl-1-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 61223610
N-methyl-N'-[2-(1-methylpiperidin-3-yl)ethyl]ethane-1,2-diamine
CID 115196067
N-(2-chloroethyl)-1-methylpiperidin-3-amine
CID 115214671
N'-cyclopropyl-N-methylethane-1,2-diamine
CID 7171924
2-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;bis(1-methylpiperidine)
CID 158552360
1-methyl-3-(3-methylpiperidin-1-yl)piperidine
CID 66580299
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylbutan-1-amine
CID 79943415
N-ethyl-9-(1-methylpiperidin-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713820
butane;N,1-dimethylpiperidin-3-amine
CID 91437867
N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]cyclopentanamine
CID 79944036
(Z)-N-methyl-4-(1-methylpiperidin-3-yl)but-3-en-1-amine
CID 117267511

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine (CID 170022411) is N-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine is CNCCNC1CN(C2CCCN(C)C2)C1.
What is the InChIKey of N-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine?
The InChIKey is OVNAILDXJIFLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4/c1-13-5-6-14-11-8-16(9-11)12-4-3-7-15(2)10-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine?
N-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine has a molecular weight of 226.37 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[1-(1-methylpiperidin-3-yl)azetidin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 170022411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).