(Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine

C29H51N3 — CID 118616915

IUPAC(Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine
SMILESC/C=C\[C@H](CC1(N(/C(N)=C\N)[C@H]2C=C[C@@H](C(C)CC)CC2)CC(C)=C(C)[C@@H]1C)C(C)CC
InChIInChI=1S/C29H51N3/c1-9-12-26(21(5)11-3)18-29(17-22(6)23(7)24(29)8)32(28(31)19-30)27-15-13-25(14-16-27)20(4)10-2/h9,12-13,15,19-21,24-27H,10-11,14,16-18,30-31H2,1-8H3/b12-9-,28-19-/t20?,21?,24-,25+,26+,27-,29?/m0/s1
InChIKeyNSFCQLILKQDZHD-PCESQZNWSA-N
MW441.75 g/mol
LogP7.13
Rot. Bonds10

About (Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine

(Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine (PubChem CID 118616915) has the molecular formula C29H51N3 and a molecular weight of 441.75 g/mol. Its IUPAC name is (Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine.

Molecular Properties

Compound Name(Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine
PubChem CID118616915
Molecular FormulaC29H51N3
Molecular Weight441.75 g/mol
Exact Mass441.41
IUPAC Name(Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine
SMILESC/C=C\[C@H](CC1(N(/C(N)=C\N)[C@H]2C=C[C@@H](C(C)CC)CC2)CC(C)=C(C)[C@@H]1C)C(C)CC
InChIInChI=1S/C29H51N3/c1-9-12-26(21(5)11-3)18-29(17-22(6)23(7)24(29)8)32(28(31)19-30)27-15-13-25(14-16-27)20(4)10-2/h9,12-13,15,19-21,24-27H,10-11,14,16-18,30-31H2,1-8H3/b12-9-,28-19-/t20?,21?,24-,25+,26+,27-,29?/m0/s1
InChIKeyNSFCQLILKQDZHD-PCESQZNWSA-N
XLogP7.13
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.75
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine?
The IUPAC name of (Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine (CID 118616915) is (Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine.
What is the SMILES notation for (Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine?
The canonical SMILES for (Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine is C/C=C\[C@H](CC1(N(/C(N)=C\N)[C@H]2C=C[C@@H](C(C)CC)CC2)CC(C)=C(C)[C@@H]1C)C(C)CC.
What is the InChIKey of (Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine?
The InChIKey is NSFCQLILKQDZHD-PCESQZNWSA-N. The full InChI is InChI=1S/C29H51N3/c1-9-12-26(21(5)11-3)18-29(17-22(6)23(7)24(29)8)32(28(31)19-30)27-15-13-25(14-16-27)20(4)10-2/h9,12-13,15,19-21,24-27H,10-11,14,16-18,30-31H2,1-8H3/b12-9-,28-19-/t20?,21?,24-,25+,26+,27-,29?/m0/s1.
What are the key properties of (Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine?
(Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine has a molecular weight of 441.75 g/mol, XLogP of 7.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N'-[(1R,4R)-4-butan-2-ylcyclohex-2-en-1-yl]-1-N'-[(2S)-1-[(Z,2R)-2-butan-2-ylpent-3-enyl]-2,3,4-trimethylcyclopent-3-en-1-yl]ethene-1,1,2-triamine is sourced from PubChem (CID 118616915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).