5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine

C7H13N3 — CID 166548505

IUPAC5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine
SMILESC/N=C/C1=C(N)CCNC1
InChIInChI=1S/C7H13N3/c1-9-4-6-5-10-3-2-7(6)8/h4,10H,2-3,5,8H2,1H3/b9-4+
InChIKeyKFWKHTAUFXYHFK-RUDMXATFSA-N
MW139.20 g/mol
LogP-0.11
Rot. Bonds1

About 5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine

5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine (PubChem CID 166548505) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine.

Molecular Properties

Compound Name5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine
PubChem CID166548505
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine
SMILESC/N=C/C1=C(N)CCNC1
InChIInChI=1S/C7H13N3/c1-9-4-6-5-10-3-2-7(6)8/h4,10H,2-3,5,8H2,1H3/b9-4+
InChIKeyKFWKHTAUFXYHFK-RUDMXATFSA-N
XLogP-0.11
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.11
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 5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine?
The IUPAC name of 5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine (CID 166548505) is 5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine.
What is the SMILES notation for 5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine?
The canonical SMILES for 5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine is C/N=C/C1=C(N)CCNC1.
What is the InChIKey of 5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine?
The InChIKey is KFWKHTAUFXYHFK-RUDMXATFSA-N. The full InChI is InChI=1S/C7H13N3/c1-9-4-6-5-10-3-2-7(6)8/h4,10H,2-3,5,8H2,1H3/b9-4+.
What are the key properties of 5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine?
5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine has a molecular weight of 139.20 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methyliminomethyl)-1,2,3,6-tetrahydropyridin-4-amine is sourced from PubChem (CID 166548505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).