N-(methylideneamino)propan-2-amine

C4H10N2 — CID 22121732

IUPACN-(methylideneamino)propan-2-amine
SMILESC=NNC(C)C
InChIInChI=1S/C4H10N2/c1-4(2)6-5-3/h4,6H,3H2,1-2H3
InChIKeyOOEKYYKKYLLGFV-UHFFFAOYSA-N
MW86.14 g/mol
LogP0.60
Rot. Bonds2

About N-(methylideneamino)propan-2-amine

N-(methylideneamino)propan-2-amine (PubChem CID 22121732) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is N-(methylideneamino)propan-2-amine.

Molecular Properties

Compound NameN-(methylideneamino)propan-2-amine
PubChem CID22121732
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC NameN-(methylideneamino)propan-2-amine
SMILESC=NNC(C)C
InChIInChI=1S/C4H10N2/c1-4(2)6-5-3/h4,6H,3H2,1-2H3
InChIKeyOOEKYYKKYLLGFV-UHFFFAOYSA-N
XLogP0.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 50.60
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-(methylideneamino)propan-2-amine?
The IUPAC name of N-(methylideneamino)propan-2-amine (CID 22121732) is N-(methylideneamino)propan-2-amine.
What is the SMILES notation for N-(methylideneamino)propan-2-amine?
The canonical SMILES for N-(methylideneamino)propan-2-amine is C=NNC(C)C.
What is the InChIKey of N-(methylideneamino)propan-2-amine?
The InChIKey is OOEKYYKKYLLGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2/c1-4(2)6-5-3/h4,6H,3H2,1-2H3.
What are the key properties of N-(methylideneamino)propan-2-amine?
N-(methylideneamino)propan-2-amine has a molecular weight of 86.14 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)propan-2-amine is sourced from PubChem (CID 22121732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).