N'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine

C19H30N2O — CID 156510667

IUPACN'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine
SMILESC=CC1=CC=C(COC(=C)NCCCCCCNC(=C)C)C1
InChIInChI=1S/C19H30N2O/c1-5-18-10-11-19(14-18)15-22-17(4)21-13-9-7-6-8-12-20-16(2)3/h5,10-11,20-21H,1-2,4,6-9,12-15H2,3H3
InChIKeyLIZNNHVMBSTRNB-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.19
Rot. Bonds13

About N'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine

N'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine (PubChem CID 156510667) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine
PubChem CID156510667
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine
SMILESC=CC1=CC=C(COC(=C)NCCCCCCNC(=C)C)C1
InChIInChI=1S/C19H30N2O/c1-5-18-10-11-19(14-18)15-22-17(4)21-13-9-7-6-8-12-20-16(2)3/h5,10-11,20-21H,1-2,4,6-9,12-15H2,3H3
InChIKeyLIZNNHVMBSTRNB-UHFFFAOYSA-N
XLogP4.19
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine?
The IUPAC name of N'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine (CID 156510667) is N'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine.
What is the SMILES notation for N'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine?
The canonical SMILES for N'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine is C=CC1=CC=C(COC(=C)NCCCCCCNC(=C)C)C1.
What is the InChIKey of N'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine?
The InChIKey is LIZNNHVMBSTRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-5-18-10-11-19(14-18)15-22-17(4)21-13-9-7-6-8-12-20-16(2)3/h5,10-11,20-21H,1-2,4,6-9,12-15H2,3H3.
What are the key properties of N'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine?
N'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine has a molecular weight of 302.46 g/mol, XLogP of 4.19, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[(4-ethenylcyclopenta-1,3-dien-1-yl)methoxy]ethenyl]-N-prop-1-en-2-ylhexane-1,6-diamine is sourced from PubChem (CID 156510667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).