2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine

C33H61N5 — CID 143360040

IUPAC2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine
SMILESC=C(NC(CN(C)C)C(C)(C)C)NC(C(=C)N1CC(C)CC1C(=C)NC(CC1CCC1)C(=C)C)C(C)(C)C
InChIInChI=1S/C33H61N5/c1-22(2)28(19-27-16-15-17-27)34-24(4)29-18-23(3)20-38(29)25(5)31(33(10,11)12)36-26(6)35-30(21-37(13)14)32(7,8)9/h23,27-31,34-36H,1,4-6,15-21H2,2-3,7-14H3
InChIKeyGSWYFPGJOBKYSK-UHFFFAOYSA-N
MW527.89 g/mol
LogP6.49
Rot. Bonds14

About 2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine

2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine (PubChem CID 143360040) has the molecular formula C33H61N5 and a molecular weight of 527.89 g/mol. Its IUPAC name is 2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine
PubChem CID143360040
Molecular FormulaC33H61N5
Molecular Weight527.89 g/mol
Exact Mass527.49
IUPAC Name2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine
SMILESC=C(NC(CN(C)C)C(C)(C)C)NC(C(=C)N1CC(C)CC1C(=C)NC(CC1CCC1)C(=C)C)C(C)(C)C
InChIInChI=1S/C33H61N5/c1-22(2)28(19-27-16-15-17-27)34-24(4)29-18-23(3)20-38(29)25(5)31(33(10,11)12)36-26(6)35-30(21-37(13)14)32(7,8)9/h23,27-31,34-36H,1,4-6,15-21H2,2-3,7-14H3
InChIKeyGSWYFPGJOBKYSK-UHFFFAOYSA-N
XLogP6.49
TPSA42.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.89
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine?
The IUPAC name of 2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine (CID 143360040) is 2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine?
The canonical SMILES for 2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine is C=C(NC(CN(C)C)C(C)(C)C)NC(C(=C)N1CC(C)CC1C(=C)NC(CC1CCC1)C(=C)C)C(C)(C)C.
What is the InChIKey of 2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine?
The InChIKey is GSWYFPGJOBKYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H61N5/c1-22(2)28(19-27-16-15-17-27)34-24(4)29-18-23(3)20-38(29)25(5)31(33(10,11)12)36-26(6)35-30(21-37(13)14)32(7,8)9/h23,27-31,34-36H,1,4-6,15-21H2,2-3,7-14H3.
What are the key properties of 2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine?
2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine has a molecular weight of 527.89 g/mol, XLogP of 6.49, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[[2-[2-[1-[(1-cyclobutyl-3-methylbut-3-en-2-yl)amino]ethenyl]-4-methylpyrrolidin-1-yl]-4,4-dimethylpent-1-en-3-yl]amino]ethenyl]-1-N,1-N,3,3-tetramethylbutane-1,2-diamine is sourced from PubChem (CID 143360040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).