N-(2-methylpropylideneamino)methanamine

C5H12N2 — CID 567578

IUPACN-(2-methylpropylideneamino)methanamine
SMILESCNN=CC(C)C
InChIInChI=1S/C5H12N2/c1-5(2)4-7-6-3/h4-6H,1-3H3
InChIKeyQLVOGAHIAVPTFB-UHFFFAOYSA-N
MW100.16 g/mol
LogP0.85
Rot. Bonds2

About N-(2-methylpropylideneamino)methanamine

N-(2-methylpropylideneamino)methanamine (PubChem CID 567578) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N-(2-methylpropylideneamino)methanamine.

Molecular Properties

Compound NameN-(2-methylpropylideneamino)methanamine
PubChem CID567578
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN-(2-methylpropylideneamino)methanamine
SMILESCNN=CC(C)C
InChIInChI=1S/C5H12N2/c1-5(2)4-7-6-3/h4-6H,1-3H3
InChIKeyQLVOGAHIAVPTFB-UHFFFAOYSA-N
XLogP0.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 50.85
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-(2-methylpropylideneamino)methanamine?
The IUPAC name of N-(2-methylpropylideneamino)methanamine (CID 567578) is N-(2-methylpropylideneamino)methanamine.
What is the SMILES notation for N-(2-methylpropylideneamino)methanamine?
The canonical SMILES for N-(2-methylpropylideneamino)methanamine is CNN=CC(C)C.
What is the InChIKey of N-(2-methylpropylideneamino)methanamine?
The InChIKey is QLVOGAHIAVPTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2/c1-5(2)4-7-6-3/h4-6H,1-3H3.
What are the key properties of N-(2-methylpropylideneamino)methanamine?
N-(2-methylpropylideneamino)methanamine has a molecular weight of 100.16 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropylideneamino)methanamine is sourced from PubChem (CID 567578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).