N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine

C7H13N3 — CID 135294288

IUPACN-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine
SMILESC=NC1=C(NC)CNCC1
InChIInChI=1S/C7H13N3/c1-8-6-3-4-10-5-7(6)9-2/h9-10H,1,3-5H2,2H3
InChIKeyLFGMYAGKIKBVIN-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.11
Rot. Bonds2

About N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine

N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine (PubChem CID 135294288) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine.

Molecular Properties

Compound NameN-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine
PubChem CID135294288
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine
SMILESC=NC1=C(NC)CNCC1
InChIInChI=1S/C7H13N3/c1-8-6-3-4-10-5-7(6)9-2/h9-10H,1,3-5H2,2H3
InChIKeyLFGMYAGKIKBVIN-UHFFFAOYSA-N
XLogP0.11
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine?
The IUPAC name of N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine (CID 135294288) is N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine.
What is the SMILES notation for N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine?
The canonical SMILES for N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine is C=NC1=C(NC)CNCC1.
What is the InChIKey of N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine?
The InChIKey is LFGMYAGKIKBVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-8-6-3-4-10-5-7(6)9-2/h9-10H,1,3-5H2,2H3.
What are the key properties of N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine?
N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine has a molecular weight of 139.20 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylideneamino)-1,2,3,6-tetrahydropyridin-5-amine is sourced from PubChem (CID 135294288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).