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

C11H21N3 — CID 121442677

IUPACN'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine
SMILESCCCC1=NCC=C1CN(C)CCN
InChIInChI=1S/C11H21N3/c1-3-4-11-10(5-7-13-11)9-14(2)8-6-12/h5H,3-4,6-9,12H2,1-2H3
InChIKeyBWNQUGKZBDHYJT-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.06
Rot. Bonds6

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

N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 121442677) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine
PubChem CID121442677
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine
SMILESCCCC1=NCC=C1CN(C)CCN
InChIInChI=1S/C11H21N3/c1-3-4-11-10(5-7-13-11)9-14(2)8-6-12/h5H,3-4,6-9,12H2,1-2H3
InChIKeyBWNQUGKZBDHYJT-UHFFFAOYSA-N
XLogP1.06
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.06
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-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine (CID 121442677) is N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine is CCCC1=NCC=C1CN(C)CCN.
What is the InChIKey of N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is BWNQUGKZBDHYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-4-11-10(5-7-13-11)9-14(2)8-6-12/h5H,3-4,6-9,12H2,1-2H3.
What are the key properties of N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine?
N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.06, 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-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 121442677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).