N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide

C8H13N3O — CID 90746235

IUPACN-[(azet-2-ylmethylamino)methyl]-N-ethylformamide
SMILESCCN(C=O)CNCC1=NC=C1
InChIInChI=1S/C8H13N3O/c1-2-11(7-12)6-9-5-8-3-4-10-8/h3-4,7,9H,2,5-6H2,1H3
InChIKeyXDMPLOHMFQYIDP-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.02
Rot. Bonds6

About N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide

N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide (PubChem CID 90746235) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide.

Molecular Properties

Compound NameN-[(azet-2-ylmethylamino)methyl]-N-ethylformamide
PubChem CID90746235
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-[(azet-2-ylmethylamino)methyl]-N-ethylformamide
SMILESCCN(C=O)CNCC1=NC=C1
InChIInChI=1S/C8H13N3O/c1-2-11(7-12)6-9-5-8-3-4-10-8/h3-4,7,9H,2,5-6H2,1H3
InChIKeyXDMPLOHMFQYIDP-UHFFFAOYSA-N
XLogP-0.02
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide?
The IUPAC name of N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide (CID 90746235) is N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide.
What is the SMILES notation for N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide?
The canonical SMILES for N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide is CCN(C=O)CNCC1=NC=C1.
What is the InChIKey of N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide?
The InChIKey is XDMPLOHMFQYIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-11(7-12)6-9-5-8-3-4-10-8/h3-4,7,9H,2,5-6H2,1H3.
What are the key properties of N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide?
N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide has a molecular weight of 167.21 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(azet-2-ylmethylamino)methyl]-N-ethylformamide is sourced from PubChem (CID 90746235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).