N,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine

C14H22N4 — CID 24805323

IUPACN,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCN(C)Cc1ccc[nH]1)Cc1ccc[nH]1
InChIInChI=1S/C14H22N4/c1-17(11-13-5-3-7-15-13)9-10-18(2)12-14-6-4-8-16-14/h3-8,15-16H,9-12H2,1-2H3
InChIKeyMEKAKKGOFXSJIL-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.91
Rot. Bonds7

About N,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine

N,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine (PubChem CID 24805323) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine
PubChem CID24805323
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine
SMILESCN(CCN(C)Cc1ccc[nH]1)Cc1ccc[nH]1
InChIInChI=1S/C14H22N4/c1-17(11-13-5-3-7-15-13)9-10-18(2)12-14-6-4-8-16-14/h3-8,15-16H,9-12H2,1-2H3
InChIKeyMEKAKKGOFXSJIL-UHFFFAOYSA-N
XLogP1.91
TPSA38.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine (CID 24805323) is N,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine is CN(CCN(C)Cc1ccc[nH]1)Cc1ccc[nH]1.
What is the InChIKey of N,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is MEKAKKGOFXSJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-17(11-13-5-3-7-15-13)9-10-18(2)12-14-6-4-8-16-14/h3-8,15-16H,9-12H2,1-2H3.
What are the key properties of N,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine?
N,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 246.36 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis(1H-pyrrol-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 24805323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).