N-(methylideneamino)prop-1-en-2-amine;molecular hydrogen

C4H10N2 — CID 155726911

IUPACN-(methylideneamino)prop-1-en-2-amine;molecular hydrogen
SMILESC=NNC(=C)C.[H][H]
InChIInChI=1S/C4H8N2.H2/c1-4(2)6-5-3;/h6H,1,3H2,2H3;1H
InChIKeyQKKRPWFDDUGHBH-UHFFFAOYSA-N
MW86.14 g/mol
LogP0.97
Rot. Bonds2

About N-(methylideneamino)prop-1-en-2-amine;molecular hydrogen

N-(methylideneamino)prop-1-en-2-amine;molecular hydrogen (PubChem CID 155726911) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is N-(methylideneamino)prop-1-en-2-amine;molecular hydrogen.

Molecular Properties

Compound NameN-(methylideneamino)prop-1-en-2-amine;molecular hydrogen
PubChem CID155726911
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC NameN-(methylideneamino)prop-1-en-2-amine;molecular hydrogen
SMILESC=NNC(=C)C.[H][H]
InChIInChI=1S/C4H8N2.H2/c1-4(2)6-5-3;/h6H,1,3H2,2H3;1H
InChIKeyQKKRPWFDDUGHBH-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
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)prop-1-en-2-amine;molecular hydrogen?
The IUPAC name of N-(methylideneamino)prop-1-en-2-amine;molecular hydrogen (CID 155726911) is N-(methylideneamino)prop-1-en-2-amine;molecular hydrogen.
What is the SMILES notation for N-(methylideneamino)prop-1-en-2-amine;molecular hydrogen?
The canonical SMILES for N-(methylideneamino)prop-1-en-2-amine;molecular hydrogen is C=NNC(=C)C.[H][H].
What is the InChIKey of N-(methylideneamino)prop-1-en-2-amine;molecular hydrogen?
The InChIKey is QKKRPWFDDUGHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.H2/c1-4(2)6-5-3;/h6H,1,3H2,2H3;1H.
What are the key properties of N-(methylideneamino)prop-1-en-2-amine;molecular hydrogen?
N-(methylideneamino)prop-1-en-2-amine;molecular hydrogen has a molecular weight of 86.14 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)prop-1-en-2-amine;molecular hydrogen is sourced from PubChem (CID 155726911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).