N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine

C12H23N3 — CID 121442676

IUPACN'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine
SMILESCC(C)CC1=NCC=C1CN(C)CCN
InChIInChI=1S/C12H23N3/c1-10(2)8-12-11(4-6-14-12)9-15(3)7-5-13/h4,10H,5-9,13H2,1-3H3
InChIKeyRBFXQQWLRAHQQA-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.30
Rot. Bonds6

About N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine

N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine (PubChem CID 121442676) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine
PubChem CID121442676
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine
SMILESCC(C)CC1=NCC=C1CN(C)CCN
InChIInChI=1S/C12H23N3/c1-10(2)8-12-11(4-6-14-12)9-15(3)7-5-13/h4,10H,5-9,13H2,1-3H3
InChIKeyRBFXQQWLRAHQQA-UHFFFAOYSA-N
XLogP1.30
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine (CID 121442676) is N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine is CC(C)CC1=NCC=C1CN(C)CCN.
What is the InChIKey of N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine?
The InChIKey is RBFXQQWLRAHQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)8-12-11(4-6-14-12)9-15(3)7-5-13/h4,10H,5-9,13H2,1-3H3.
What are the key properties of N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine?
N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 121442676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).