N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine

C10H17N3 — CID 137267599

IUPACN-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine
SMILESC/C(=N\N(C)C)c1c(C)c[nH]c1C
InChIInChI=1S/C10H17N3/c1-7-6-11-8(2)10(7)9(3)12-13(4)5/h6,11H,1-5H3/b12-9+
InChIKeyORIJWJSZOUCIDY-FMIVXFBMSA-N
MW179.27 g/mol
LogP1.92
Rot. Bonds2

About N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine

N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine (PubChem CID 137267599) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine
PubChem CID137267599
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine
SMILESC/C(=N\N(C)C)c1c(C)c[nH]c1C
InChIInChI=1S/C10H17N3/c1-7-6-11-8(2)10(7)9(3)12-13(4)5/h6,11H,1-5H3/b12-9+
InChIKeyORIJWJSZOUCIDY-FMIVXFBMSA-N
XLogP1.92
TPSA31.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine (CID 137267599) is N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine is C/C(=N\N(C)C)c1c(C)c[nH]c1C.
What is the InChIKey of N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine?
The InChIKey is ORIJWJSZOUCIDY-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-6-11-8(2)10(7)9(3)12-13(4)5/h6,11H,1-5H3/b12-9+.
What are the key properties of N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine?
N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-N-methylmethanamine is sourced from PubChem (CID 137267599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).