2-methanimidoyl-N-methylpentan-1-amine

C7H16N2 — CID 90738575

IUPAC2-methanimidoyl-N-methylpentan-1-amine
SMILES[H]/N=C/C(CCC)CNC
InChIInChI=1S/C7H16N2/c1-3-4-7(5-8)6-9-2/h5,7-9H,3-4,6H2,1-2H3/b8-5+
InChIKeyMTFVTVNNRVDMJI-VMPITWQZSA-N
MW128.22 g/mol
LogP1.27
Rot. Bonds5

About 2-methanimidoyl-N-methylpentan-1-amine

2-methanimidoyl-N-methylpentan-1-amine (PubChem CID 90738575) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-methanimidoyl-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-methanimidoyl-N-methylpentan-1-amine
PubChem CID90738575
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-methanimidoyl-N-methylpentan-1-amine
SMILES[H]/N=C/C(CCC)CNC
InChIInChI=1S/C7H16N2/c1-3-4-7(5-8)6-9-2/h5,7-9H,3-4,6H2,1-2H3/b8-5+
InChIKeyMTFVTVNNRVDMJI-VMPITWQZSA-N
XLogP1.27
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.27
H-Bond Donors ≤ 52
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 2-methanimidoyl-N-methylpentan-1-amine?
The IUPAC name of 2-methanimidoyl-N-methylpentan-1-amine (CID 90738575) is 2-methanimidoyl-N-methylpentan-1-amine.
What is the SMILES notation for 2-methanimidoyl-N-methylpentan-1-amine?
The canonical SMILES for 2-methanimidoyl-N-methylpentan-1-amine is [H]/N=C/C(CCC)CNC.
What is the InChIKey of 2-methanimidoyl-N-methylpentan-1-amine?
The InChIKey is MTFVTVNNRVDMJI-VMPITWQZSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-4-7(5-8)6-9-2/h5,7-9H,3-4,6H2,1-2H3/b8-5+.
What are the key properties of 2-methanimidoyl-N-methylpentan-1-amine?
2-methanimidoyl-N-methylpentan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-N-methylpentan-1-amine is sourced from PubChem (CID 90738575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).