(Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine

C24H46N4O — CID 139395035

About (Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine

(Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine (PubChem CID 139395035) has the molecular formula C24H46N4O and a molecular weight of 406.66 g/mol. Its IUPAC name is (Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine.

Molecular Properties

• Compound Name: (Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine
• PubChem CID: 139395035
• Molecular Formula: C24H46N4O
• Molecular Weight: 406.66 g/mol
• Exact Mass: 406.37
• IUPAC Name: (Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine
• SMILES: C=CN(CC)/C(=C(/C)C(C)(OC)N(C)/C=C\CC)C(C)N1CCC(N(C)C)CC1
• InChI: InChI=1S/C24H46N4O/c1-11-14-17-26(9)24(6,29-10)20(4)23(27(12-2)13-3)21(5)28-18-15-22(16-19-28)25(7)8/h12,14,17,21-22H,2,11,13,15-16,18-19H2,1,3-10H3/b17-14-,23-20-
• InChIKey: CEUOUOHPIZEKJT-VUDPJOSQSA-N
• XLogP: 4.36
• TPSA: 22.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.66
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine?

The IUPAC name of (Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine (CID 139395035) is (Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine.

What is the SMILES notation for (Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine?

The canonical SMILES for (Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine is C=CN(CC)/C(=C(/C)C(C)(OC)N(C)/C=C\CC)C(C)N1CCC(N(C)C)CC1.

What is the InChIKey of (Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine?

The InChIKey is CEUOUOHPIZEKJT-VUDPJOSQSA-N. The full InChI is InChI=1S/C24H46N4O/c1-11-14-17-26(9)24(6,29-10)20(4)23(27(12-2)13-3)21(5)28-18-15-22(16-19-28)25(7)8/h12,14,17,21-22H,2,11,13,15-16,18-19H2,1,3-10H3/b17-14-,23-20-.

What are the key properties of (Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine?

(Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine has a molecular weight of 406.66 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-N-[(Z)-but-1-enyl]-5-[4-(dimethylamino)piperidin-1-yl]-4-N-ethenyl-4-N-ethyl-2-methoxy-2-N,3-dimethylhex-3-ene-2,4-diamine is sourced from PubChem (CID 139395035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).