N-[3,5-bis(methylamino)phenyl]formamide

C9H13N3O — CID 158907123

IUPACN-[3,5-bis(methylamino)phenyl]formamide
SMILESCNc1cc(NC)cc(NC=O)c1
InChIInChI=1S/C9H13N3O/c1-10-7-3-8(11-2)5-9(4-7)12-6-13/h3-6,10-11H,1-2H3,(H,12,13)
InChIKeyJGEITYMGXWOEJV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.34
Rot. Bonds4

About N-[3,5-bis(methylamino)phenyl]formamide

N-[3,5-bis(methylamino)phenyl]formamide (PubChem CID 158907123) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[3,5-bis(methylamino)phenyl]formamide.

Molecular Properties

Compound NameN-[3,5-bis(methylamino)phenyl]formamide
PubChem CID158907123
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[3,5-bis(methylamino)phenyl]formamide
SMILESCNc1cc(NC)cc(NC=O)c1
InChIInChI=1S/C9H13N3O/c1-10-7-3-8(11-2)5-9(4-7)12-6-13/h3-6,10-11H,1-2H3,(H,12,13)
InChIKeyJGEITYMGXWOEJV-UHFFFAOYSA-N
XLogP1.34
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(methylamino)phenyl]formamide?
The IUPAC name of N-[3,5-bis(methylamino)phenyl]formamide (CID 158907123) is N-[3,5-bis(methylamino)phenyl]formamide.
What is the SMILES notation for N-[3,5-bis(methylamino)phenyl]formamide?
The canonical SMILES for N-[3,5-bis(methylamino)phenyl]formamide is CNc1cc(NC)cc(NC=O)c1.
What is the InChIKey of N-[3,5-bis(methylamino)phenyl]formamide?
The InChIKey is JGEITYMGXWOEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-10-7-3-8(11-2)5-9(4-7)12-6-13/h3-6,10-11H,1-2H3,(H,12,13).
What are the key properties of N-[3,5-bis(methylamino)phenyl]formamide?
N-[3,5-bis(methylamino)phenyl]formamide has a molecular weight of 179.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(methylamino)phenyl]formamide is sourced from PubChem (CID 158907123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).