N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine

C10H19N3 — CID 115198001

IUPACN-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine
SMILESCNCCCNCCc1cc[nH]c1
InChIInChI=1S/C10H19N3/c1-11-5-2-6-12-7-3-10-4-8-13-9-10/h4,8-9,11-13H,2-3,5-7H2,1H3
InChIKeyDVZPOCYSIGCMHR-UHFFFAOYSA-N
MW181.28 g/mol
LogP0.76
Rot. Bonds7

About N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine

N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine (PubChem CID 115198001) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine
PubChem CID115198001
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine
SMILESCNCCCNCCc1cc[nH]c1
InChIInChI=1S/C10H19N3/c1-11-5-2-6-12-7-3-10-4-8-13-9-10/h4,8-9,11-13H,2-3,5-7H2,1H3
InChIKeyDVZPOCYSIGCMHR-UHFFFAOYSA-N
XLogP0.76
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(1H-pyrrol-3-yl)ethanamine
CID 82490381
N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine
CID 115246278
N-ethyl-4-(1H-pyrrol-3-yl)butan-1-amine
CID 98013882
N-(methoxymethyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 115258865
N-methyl-4-[[2-(1H-pyrrol-3-yl)ethylamino]methyl]aniline
CID 115212835
N-[2-(1H-pyrrol-3-yl)ethyl]formamide
CID 57296445
2-(methylamino)-3-[2-(1H-pyrrol-3-yl)ethylamino]propanoic acid
CID 115256241
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115198026
3-pentyl-1H-pyrrole
CID 15599581
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpropane-1,3-diamine
CID 19926627
N-methyl-N'-[2-(4-methylsulfanylphenyl)ethyl]butane-1,4-diamine
CID 115202135
3-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]butan-1-amine
CID 115255519

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine (CID 115198001) is N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine is CNCCCNCCc1cc[nH]c1.
What is the InChIKey of N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine?
The InChIKey is DVZPOCYSIGCMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-11-5-2-6-12-7-3-10-4-8-13-9-10/h4,8-9,11-13H,2-3,5-7H2,1H3.
What are the key properties of N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine?
N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine has a molecular weight of 181.28 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-(1H-pyrrol-3-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 115198001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).