1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine

C20H34N2 — CID 20521669

IUPAC1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine
SMILESC=C(CCCCC(C)N)C(=C)C(=C)C(=C)C(N)C1CCCC1
InChIInChI=1S/C20H34N2/c1-14(10-6-7-11-15(2)21)16(3)17(4)18(5)20(22)19-12-8-9-13-19/h15,19-20H,1,3-13,21-22H2,2H3
InChIKeyPLJQQKSDVTVMBW-UHFFFAOYSA-N
MW302.51 g/mol
LogP4.64
Rot. Bonds10

About 1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine

1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine (PubChem CID 20521669) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is 1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine.

Molecular Properties

Compound Name1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine
PubChem CID20521669
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Name1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine
SMILESC=C(CCCCC(C)N)C(=C)C(=C)C(=C)C(N)C1CCCC1
InChIInChI=1S/C20H34N2/c1-14(10-6-7-11-15(2)21)16(3)17(4)18(5)20(22)19-12-8-9-13-19/h15,19-20H,1,3-13,21-22H2,2H3
InChIKeyPLJQQKSDVTVMBW-UHFFFAOYSA-N
XLogP4.64
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.51
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine?
The IUPAC name of 1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine (CID 20521669) is 1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine.
What is the SMILES notation for 1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine?
The canonical SMILES for 1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine is C=C(CCCCC(C)N)C(=C)C(=C)C(=C)C(N)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine?
The InChIKey is PLJQQKSDVTVMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2/c1-14(10-6-7-11-15(2)21)16(3)17(4)18(5)20(22)19-12-8-9-13-19/h15,19-20H,1,3-13,21-22H2,2H3.
What are the key properties of 1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine?
1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine has a molecular weight of 302.51 g/mol, XLogP of 4.64, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2,3,4,5-tetramethylideneundecane-1,10-diamine is sourced from PubChem (CID 20521669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).