(3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine

C7H13N3 — CID 178154716

IUPAC(3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine
SMILES[H]/N=C/C1=C(N)C[C@@H](C)CN1
InChIInChI=1S/C7H13N3/c1-5-2-6(9)7(3-8)10-4-5/h3,5,8,10H,2,4,9H2,1H3/b8-3+/t5-/m1/s1
InChIKeyZRSLDVBFRCBVJX-DKJYPSCKSA-N
MW139.20 g/mol
LogP0.44
Rot. Bonds1

About (3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine

(3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine (PubChem CID 178154716) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine.

Molecular Properties

Compound Name(3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine
PubChem CID178154716
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine
SMILES[H]/N=C/C1=C(N)C[C@@H](C)CN1
InChIInChI=1S/C7H13N3/c1-5-2-6(9)7(3-8)10-4-5/h3,5,8,10H,2,4,9H2,1H3/b8-3+/t5-/m1/s1
InChIKeyZRSLDVBFRCBVJX-DKJYPSCKSA-N
XLogP0.44
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.44
H-Bond Donors ≤ 53
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 (3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine?
The IUPAC name of (3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine (CID 178154716) is (3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine.
What is the SMILES notation for (3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine?
The canonical SMILES for (3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine is [H]/N=C/C1=C(N)C[C@@H](C)CN1.
What is the InChIKey of (3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine?
The InChIKey is ZRSLDVBFRCBVJX-DKJYPSCKSA-N. The full InChI is InChI=1S/C7H13N3/c1-5-2-6(9)7(3-8)10-4-5/h3,5,8,10H,2,4,9H2,1H3/b8-3+/t5-/m1/s1.
What are the key properties of (3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine?
(3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine has a molecular weight of 139.20 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-methanimidoyl-3-methyl-1,2,3,4-tetrahydropyridin-5-amine is sourced from PubChem (CID 178154716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).