N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine

C20H36N2 — CID 6482275

IUPACN'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CCNC/C=C(\C)CCC=C(C)C)C1CCCC1
InChIInChI=1S/C20H36N2/c1-5-16-22(20-11-6-7-12-20)17-15-21-14-13-19(4)10-8-9-18(2)3/h5,9,13,20-21H,1,6-8,10-12,14-17H2,2-4H3/b19-13+
InChIKeyPVPUCBTYLHHNMK-CPNJWEJPSA-N
MW304.52 g/mol
LogP4.70
Rot. Bonds11

About N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine

N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine (PubChem CID 6482275) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine
PubChem CID6482275
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC NameN'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CCNC/C=C(\C)CCC=C(C)C)C1CCCC1
InChIInChI=1S/C20H36N2/c1-5-16-22(20-11-6-7-12-20)17-15-21-14-13-19(4)10-8-9-18(2)3/h5,9,13,20-21H,1,6-8,10-12,14-17H2,2-4H3/b19-13+
InChIKeyPVPUCBTYLHHNMK-CPNJWEJPSA-N
XLogP4.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine (CID 6482275) is N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine is C=CCN(CCNC/C=C(\C)CCC=C(C)C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine?
The InChIKey is PVPUCBTYLHHNMK-CPNJWEJPSA-N. The full InChI is InChI=1S/C20H36N2/c1-5-16-22(20-11-6-7-12-20)17-15-21-14-13-19(4)10-8-9-18(2)3/h5,9,13,20-21H,1,6-8,10-12,14-17H2,2-4H3/b19-13+.
What are the key properties of N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine?
N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine has a molecular weight of 304.52 g/mol, XLogP of 4.70, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 6482275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).