2-[(methylideneamino)methyl]prop-2-en-1-amine

C5H10N2 — CID 163742358

IUPAC2-[(methylideneamino)methyl]prop-2-en-1-amine
SMILESC=NCC(=C)CN
InChIInChI=1S/C5H10N2/c1-5(3-6)4-7-2/h1-4,6H2
InChIKeyLIWSDLJPOJJUHL-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.20
Rot. Bonds3

About 2-[(methylideneamino)methyl]prop-2-en-1-amine

2-[(methylideneamino)methyl]prop-2-en-1-amine (PubChem CID 163742358) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-[(methylideneamino)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(methylideneamino)methyl]prop-2-en-1-amine
PubChem CID163742358
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-[(methylideneamino)methyl]prop-2-en-1-amine
SMILESC=NCC(=C)CN
InChIInChI=1S/C5H10N2/c1-5(3-6)4-7-2/h1-4,6H2
InChIKeyLIWSDLJPOJJUHL-UHFFFAOYSA-N
XLogP0.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(methylideneamino)acetyl]oxymethyl 2-aminoacetate
CID 163581118
N-(2-methylprop-2-enyl)methanimine;hydrochloride
CID 175317969
2-(3-aminoprop-1-en-2-yloxy)prop-2-en-1-amine
CID 87931540
4-methyl-2-methylidenepentan-1-amine
CID 55284045
N-methyl-3-(methylideneamino)prop-1-en-2-amine
CID 163554152
N-(2,2-dimethylpropyl)methanimine;2-methylprop-2-en-1-amine
CID 142317449
5-fluoro-4-methyl-2-methylidenepentan-1-amine
CID 170256845
2-[(methylideneamino)methyl]hept-1-en-3-amine
CID 145423014
2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
CID 103070424
2-(propan-2-ylideneamino)prop-2-en-1-amine
CID 167219990
N'-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069294
2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine
CID 103075032

Frequently Asked Questions

What is the IUPAC name of 2-[(methylideneamino)methyl]prop-2-en-1-amine?
The IUPAC name of 2-[(methylideneamino)methyl]prop-2-en-1-amine (CID 163742358) is 2-[(methylideneamino)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(methylideneamino)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(methylideneamino)methyl]prop-2-en-1-amine is C=NCC(=C)CN.
What is the InChIKey of 2-[(methylideneamino)methyl]prop-2-en-1-amine?
The InChIKey is LIWSDLJPOJJUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-5(3-6)4-7-2/h1-4,6H2.
What are the key properties of 2-[(methylideneamino)methyl]prop-2-en-1-amine?
2-[(methylideneamino)methyl]prop-2-en-1-amine has a molecular weight of 98.15 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(methylideneamino)methyl]prop-2-en-1-amine is sourced from PubChem (CID 163742358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).