N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine

C7H11N3 — CID 57267648

IUPACN,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine
SMILESCN(C)CN=C1C=CC=N1
InChIInChI=1S/C7H11N3/c1-10(2)6-9-7-4-3-5-8-7/h3-5H,6H2,1-2H3
InChIKeyBARFVVWLHILFCO-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.54
Rot. Bonds2

About N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine

N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine (PubChem CID 57267648) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine
PubChem CID57267648
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC NameN,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine
SMILESCN(C)CN=C1C=CC=N1
InChIInChI=1S/C7H11N3/c1-10(2)6-9-7-4-3-5-8-7/h3-5H,6H2,1-2H3
InChIKeyBARFVVWLHILFCO-UHFFFAOYSA-N
XLogP0.54
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine?
The IUPAC name of N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine (CID 57267648) is N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine?
The canonical SMILES for N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine is CN(C)CN=C1C=CC=N1.
What is the InChIKey of N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine?
The InChIKey is BARFVVWLHILFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-10(2)6-9-7-4-3-5-8-7/h3-5H,6H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine?
N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine has a molecular weight of 137.19 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine is sourced from PubChem (CID 57267648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).