N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane

C24H45N3 — CID 144722003

About N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane

N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane (PubChem CID 144722003) has the molecular formula C24H45N3 and a molecular weight of 375.65 g/mol. Its IUPAC name is N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane.

Molecular Properties

• Compound Name: N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane
• PubChem CID: 144722003
• Molecular Formula: C24H45N3
• Molecular Weight: 375.65 g/mol
• Exact Mass: 375.36
• IUPAC Name: N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane
• SMILES: C=CCN(C)CCN(C)CC(=C/C)/C(=N\C)C1CCC(C)(C)C(=C)C1.CC
• InChI: InChI=1S/C22H39N3.C2H6/c1-9-13-24(7)14-15-25(8)17-19(10-2)21(23-6)20-11-12-22(4,5)18(3)16-20;1-2/h9-10,20H,1,3,11-17H2,2,4-8H3;1-2H3/b19-10-,23-21+
• InChIKey: QWEUWYDLNQXIBW-ZRJIGRQFSA-N
• XLogP: 5.46
• TPSA: 18.84 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.65
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane?

The IUPAC name of N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane (CID 144722003) is N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane.

What is the SMILES notation for N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane?

The canonical SMILES for N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane is C=CCN(C)CCN(C)CC(=C/C)/C(=N\C)C1CCC(C)(C)C(=C)C1.CC.

What is the InChIKey of N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane?

The InChIKey is QWEUWYDLNQXIBW-ZRJIGRQFSA-N. The full InChI is InChI=1S/C22H39N3.C2H6/c1-9-13-24(7)14-15-25(8)17-19(10-2)21(23-6)20-11-12-22(4,5)18(3)16-20;1-2/h9-10,20H,1,3,11-17H2,2,4-8H3;1-2H3/b19-10-,23-21+;.

What are the key properties of N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane?

N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane has a molecular weight of 375.65 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(Z)-2-[C-(4,4-dimethyl-3-methylidenecyclohexyl)-N-methylcarbonimidoyl]but-2-enyl]-N,N'-dimethyl-N-prop-2-enylethane-1,2-diamine;ethane is sourced from PubChem (CID 144722003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).