methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine

C24H38N6 — CID 168936845

About methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine

methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine (PubChem CID 168936845) has the molecular formula C24H38N6 and a molecular weight of 410.61 g/mol. Its IUPAC name is methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine.

Molecular Properties

• Compound Name: methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine
• PubChem CID: 168936845
• Molecular Formula: C24H38N6
• Molecular Weight: 410.61 g/mol
• Exact Mass: 410.32
• IUPAC Name: methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine
• SMILES: C=C1C=CC(CNc2cn(C)c(/C=C\C)c2N2CCNCC2)=C/C1=N\CCC.CN
• InChI: InChI=1S/C23H33N5.CH5N/c1-5-7-22-23(28-13-11-24-12-14-28)21(17-27(22)4)26-16-19-9-8-18(3)20(15-19)25-10-6-2;1-2/h5,7-9,15,17,24,26H,3,6,10-14,16H2,1-2,4H3;2H2,1H3/b7-5-,25-20+
• InChIKey: LPDOUDOXNKZDIU-XYHNJSPBSA-N
• XLogP: 3.36
• TPSA: 70.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.61
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine?

The IUPAC name of methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine (CID 168936845) is methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine.

What is the SMILES notation for methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine?

The canonical SMILES for methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine is C=C1C=CC(CNc2cn(C)c(/C=C\C)c2N2CCNCC2)=C/C1=N\CCC.CN.

What is the InChIKey of methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine?

The InChIKey is LPDOUDOXNKZDIU-XYHNJSPBSA-N. The full InChI is InChI=1S/C23H33N5.CH5N/c1-5-7-22-23(28-13-11-24-12-14-28)21(17-27(22)4)26-16-19-9-8-18(3)20(15-19)25-10-6-2;1-2/h5,7-9,15,17,24,26H,3,6,10-14,16H2,1-2,4H3;2H2,1H3/b7-5-,25-20+;.

What are the key properties of methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine?

methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine has a molecular weight of 410.61 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methanamine;1-methyl-N-[(4-methylidene-3-propyliminocyclohexa-1,5-dien-1-yl)methyl]-4-piperazin-1-yl-5-[(Z)-prop-1-enyl]pyrrol-3-amine is sourced from PubChem (CID 168936845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).