N-methyl-3-(methylideneamino)prop-1-en-2-amine

C5H10N2 — CID 163554152

IUPACN-methyl-3-(methylideneamino)prop-1-en-2-amine
SMILESC=NCC(=C)NC
InChIInChI=1S/C5H10N2/c1-5(7-3)4-6-2/h7H,1-2,4H2,3H3
InChIKeyFLPCBNNMLCZWTH-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.42
Rot. Bonds3

About N-methyl-3-(methylideneamino)prop-1-en-2-amine

N-methyl-3-(methylideneamino)prop-1-en-2-amine (PubChem CID 163554152) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N-methyl-3-(methylideneamino)prop-1-en-2-amine.

Molecular Properties

Compound NameN-methyl-3-(methylideneamino)prop-1-en-2-amine
PubChem CID163554152
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN-methyl-3-(methylideneamino)prop-1-en-2-amine
SMILESC=NCC(=C)NC
InChIInChI=1S/C5H10N2/c1-5(7-3)4-6-2/h7H,1-2,4H2,3H3
InChIKeyFLPCBNNMLCZWTH-UHFFFAOYSA-N
XLogP0.42
TPSA24.39 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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(methylideneamino)prop-1-en-2-amine
CID 155313721
N-methyl-2-(methylideneamino)acetamide
CID 90245823
N-(2-methylprop-2-enyl)methanimine;hydrochloride
CID 175317969
N-methylpenta-1,4-dien-2-amine
CID 144973038
1-N-ethenyl-2-N-methylprop-2-ene-1,2-diamine
CID 170084876
2-[(methylideneamino)methyl]prop-2-en-1-amine
CID 163742358
N-methyloct-1-en-2-amine
CID 129196255
N-methyl-1-(methylideneamino)methanamine
CID 59933642
N'-methyl-2-[2-[2-(methylamino)prop-2-enylamino]ethylamino]ethanimidamide
CID 89383686
N-methyl-4-(3-methyldiazirin-3-yl)but-1-en-2-amine
CID 126584431
N-methyl-4-(2,3,4,5-tetramethylcyclopentyl)but-1-en-2-amine
CID 129269679
N,5-dimethylhepta-1,6-dien-2-amine
CID 155584945

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(methylideneamino)prop-1-en-2-amine?
The IUPAC name of N-methyl-3-(methylideneamino)prop-1-en-2-amine (CID 163554152) is N-methyl-3-(methylideneamino)prop-1-en-2-amine.
What is the SMILES notation for N-methyl-3-(methylideneamino)prop-1-en-2-amine?
The canonical SMILES for N-methyl-3-(methylideneamino)prop-1-en-2-amine is C=NCC(=C)NC.
What is the InChIKey of N-methyl-3-(methylideneamino)prop-1-en-2-amine?
The InChIKey is FLPCBNNMLCZWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-5(7-3)4-6-2/h7H,1-2,4H2,3H3.
What are the key properties of N-methyl-3-(methylideneamino)prop-1-en-2-amine?
N-methyl-3-(methylideneamino)prop-1-en-2-amine has a molecular weight of 98.15 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(methylideneamino)prop-1-en-2-amine is sourced from PubChem (CID 163554152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).