1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine

C10H19N3 — CID 115196941

IUPAC1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
SMILESCC(N)CN(C)CCc1ccc[nH]1
InChIInChI=1S/C10H19N3/c1-9(11)8-13(2)7-5-10-4-3-6-12-10/h3-4,6,9,12H,5,7-8,11H2,1-2H3
InChIKeyYOICYBYTPXCTFL-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.84
Rot. Bonds5

About 1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine

1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine (PubChem CID 115196941) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
PubChem CID115196941
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
SMILESCC(N)CN(C)CCc1ccc[nH]1
InChIInChI=1S/C10H19N3/c1-9(11)8-13(2)7-5-10-4-3-6-12-10/h3-4,6,9,12H,5,7-8,11H2,1-2H3
InChIKeyYOICYBYTPXCTFL-UHFFFAOYSA-N
XLogP0.84
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide
CID 115156814
1-N,3-dimethyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115200886
2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115258110
methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide
CID 117043502
N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine
CID 115205056
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-2-(1H-pyrrol-2-yl)ethanamine
CID 115244397
4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
CID 115156483
3-amino-4-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181349
1-N,4-N-dimethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,4-diamine
CID 117041478
2-N,3-dimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]pyridine-2,5-diamine
CID 115148047
2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine
CID 116924952
1-N-methyl-1-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 115197005

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine (CID 115196941) is 1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine is CC(N)CN(C)CCc1ccc[nH]1.
What is the InChIKey of 1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine?
The InChIKey is YOICYBYTPXCTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(11)8-13(2)7-5-10-4-3-6-12-10/h3-4,6,9,12H,5,7-8,11H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine?
1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine has a molecular weight of 181.28 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 115196941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).