2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine

C16H24N4 — CID 129126653

IUPAC2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine
SMILES[H]/N=C/C1C=CCC(/N=C/C2=C(C)C=C(C)[C@@H](C)N2)C1N
InChIInChI=1S/C16H24N4/c1-10-7-11(2)15(20-12(10)3)9-19-14-6-4-5-13(8-17)16(14)18/h4-5,7-9,12-14,16-17,20H,6,18H2,1-3H3/b17-8+,19-9+/t12-,13?,14?,16?/m1/s1
InChIKeyVKIXANXDAZVKKW-YZTMHWLFSA-N
MW272.40 g/mol
LogP2.19
Rot. Bonds3

About 2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine

2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine (PubChem CID 129126653) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine
PubChem CID129126653
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine
SMILES[H]/N=C/C1C=CCC(/N=C/C2=C(C)C=C(C)[C@@H](C)N2)C1N
InChIInChI=1S/C16H24N4/c1-10-7-11(2)15(20-12(10)3)9-19-14-6-4-5-13(8-17)16(14)18/h4-5,7-9,12-14,16-17,20H,6,18H2,1-3H3/b17-8+,19-9+/t12-,13?,14?,16?/m1/s1
InChIKeyVKIXANXDAZVKKW-YZTMHWLFSA-N
XLogP2.19
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine?
The IUPAC name of 2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine (CID 129126653) is 2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine.
What is the SMILES notation for 2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine?
The canonical SMILES for 2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine is [H]/N=C/C1C=CCC(/N=C/C2=C(C)C=C(C)[C@@H](C)N2)C1N.
What is the InChIKey of 2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine?
The InChIKey is VKIXANXDAZVKKW-YZTMHWLFSA-N. The full InChI is InChI=1S/C16H24N4/c1-10-7-11(2)15(20-12(10)3)9-19-14-6-4-5-13(8-17)16(14)18/h4-5,7-9,12-14,16-17,20H,6,18H2,1-3H3/b17-8+,19-9+/t12-,13?,14?,16?/m1/s1.
What are the key properties of 2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine?
2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine has a molecular weight of 272.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-6-[[(2R)-2,3,5-trimethyl-1,2-dihydropyridin-6-yl]methylideneamino]cyclohex-3-en-1-amine is sourced from PubChem (CID 129126653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).