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

C8H15N3 — CID 115197680

IUPACN-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine
SMILESCNCCCNc1ccc[nH]1
InChIInChI=1S/C8H15N3/c1-9-5-3-7-11-8-4-2-6-10-8/h2,4,6,9-11H,3,5,7H2,1H3
InChIKeyWFFWMXCMPGQJIM-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.04
Rot. Bonds5

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

N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine (PubChem CID 115197680) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine
PubChem CID115197680
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine
SMILESCNCCCNc1ccc[nH]1
InChIInChI=1S/C8H15N3/c1-9-5-3-7-11-8-4-2-6-10-8/h2,4,6,9-11H,3,5,7H2,1H3
InChIKeyWFFWMXCMPGQJIM-UHFFFAOYSA-N
XLogP1.04
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.04
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,N'-bis(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 163759001
2-methyl-6-N-[3-(methylamino)propyl]-4-N-(1H-pyrrol-2-yl)pyrimidine-4,6-diamine
CID 115266404
N-[5-(1H-pyrrol-2-ylamino)pentyl]acetamide
CID 67602472
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1H-pyrrol-2-amine
CID 115244513
lithium;N-ethyl-1H-pyrrol-2-amine;hydride
CID 173205429
N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703
N-(1H-pyrrol-2-yl)-1H-pyrrol-2-amine
CID 68544991
N-methyl-3-[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898152
2-propan-2-yl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine
CID 115252329
N,N'-dimethyl-N'-[6-(1H-pyrrol-2-yl)pyridazin-3-yl]propane-1,3-diamine
CID 116973443
N'-(1H-indol-3-yl)-N-methylbutane-1,4-diamine
CID 115201685
3-methyl-4-(1H-pyrrol-2-ylamino)butanoic acid
CID 115219718

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine?
The IUPAC name of N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine (CID 115197680) is N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine?
The canonical SMILES for N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine is CNCCCNc1ccc[nH]1.
What is the InChIKey of N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine?
The InChIKey is WFFWMXCMPGQJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-9-5-3-7-11-8-4-2-6-10-8/h2,4,6,9-11H,3,5,7H2,1H3.
What are the key properties of N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine?
N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine has a molecular weight of 153.23 g/mol, XLogP of 1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(1H-pyrrol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 115197680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).