1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine

C17H25BrN4 — CID 118263671

IUPAC1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine
SMILES[H]/N=C/c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C17H25BrN4/c18-14-10-13(11-19)17(20-12-14)22-8-6-16(7-9-22)21-15-4-2-1-3-5-15/h10-12,15-16,19,21H,1-9H2/b19-11+
InChIKeyPBPAXTRFJIWMEM-YBFXNURJSA-N
MW365.32 g/mol
LogP3.73
Rot. Bonds4

About 1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine

1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine (PubChem CID 118263671) has the molecular formula C17H25BrN4 and a molecular weight of 365.32 g/mol. Its IUPAC name is 1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine
PubChem CID118263671
Molecular FormulaC17H25BrN4
Molecular Weight365.32 g/mol
Exact Mass364.13
IUPAC Name1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine
SMILES[H]/N=C/c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C17H25BrN4/c18-14-10-13(11-19)17(20-12-14)22-8-6-16(7-9-22)21-15-4-2-1-3-5-15/h10-12,15-16,19,21H,1-9H2/b19-11+
InChIKeyPBPAXTRFJIWMEM-YBFXNURJSA-N
XLogP3.73
TPSA52.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine?
The IUPAC name of 1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine (CID 118263671) is 1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine.
What is the SMILES notation for 1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine?
The canonical SMILES for 1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine is [H]/N=C/c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1.
What is the InChIKey of 1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine?
The InChIKey is PBPAXTRFJIWMEM-YBFXNURJSA-N. The full InChI is InChI=1S/C17H25BrN4/c18-14-10-13(11-19)17(20-12-14)22-8-6-16(7-9-22)21-15-4-2-1-3-5-15/h10-12,15-16,19,21H,1-9H2/b19-11+.
What are the key properties of 1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine?
1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine has a molecular weight of 365.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methanimidoyl-2-pyridinyl)-N-cyclohexylpiperidin-4-amine is sourced from PubChem (CID 118263671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).