N'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine

C19H34N2 — CID 3006132

IUPACN'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CCN/C=C(\C)CCC=C(C)C)C1CCCC1
InChIInChI=1S/C19H34N2/c1-5-14-21(19-11-6-7-12-19)15-13-20-16-18(4)10-8-9-17(2)3/h5,9,16,19-20H,1,6-8,10-15H2,2-4H3/b18-16+
InChIKeyFZZYIVQVAQIDML-FBMGVBCBSA-N
MW290.50 g/mol
LogP4.66
Rot. Bonds10

About N'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine

N'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine (PubChem CID 3006132) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine
PubChem CID3006132
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine
SMILESC=CCN(CCN/C=C(\C)CCC=C(C)C)C1CCCC1
InChIInChI=1S/C19H34N2/c1-5-14-21(19-11-6-7-12-19)15-13-20-16-18(4)10-8-9-17(2)3/h5,9,16,19-20H,1,6-8,10-15H2,2-4H3/b18-16+
InChIKeyFZZYIVQVAQIDML-FBMGVBCBSA-N
XLogP4.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.66
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-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine (CID 3006132) is N'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine is C=CCN(CCN/C=C(\C)CCC=C(C)C)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine?
The InChIKey is FZZYIVQVAQIDML-FBMGVBCBSA-N. The full InChI is InChI=1S/C19H34N2/c1-5-14-21(19-11-6-7-12-19)15-13-20-16-18(4)10-8-9-17(2)3/h5,9,16,19-20H,1,6-8,10-15H2,2-4H3/b18-16+.
What are the key properties of N'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine?
N'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[(1E)-2,6-dimethylhepta-1,5-dienyl]-N'-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 3006132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).