1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine

C21H30N2 — CID 143356882

IUPAC1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine
SMILESC=C(NC(C)C(C)C)NC(C(=C)C)C1CC2=C=C(C=CC=C2)C1
InChIInChI=1S/C21H30N2/c1-14(2)16(5)22-17(6)23-21(15(3)4)20-12-18-9-7-8-10-19(11-18)13-20/h7-10,14,16,20-23H,3,6,12-13H2,1-2,4-5H3
InChIKeyNGBMSXRVTOYVLR-UHFFFAOYSA-N
MW310.49 g/mol
LogP4.61
Rot. Bonds7

About 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine

1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine (PubChem CID 143356882) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine
PubChem CID143356882
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine
SMILESC=C(NC(C)C(C)C)NC(C(=C)C)C1CC2=C=C(C=CC=C2)C1
InChIInChI=1S/C21H30N2/c1-14(2)16(5)22-17(6)23-21(15(3)4)20-12-18-9-7-8-10-19(11-18)13-20/h7-10,14,16,20-23H,3,6,12-13H2,1-2,4-5H3
InChIKeyNGBMSXRVTOYVLR-UHFFFAOYSA-N
XLogP4.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine?
The IUPAC name of 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine (CID 143356882) is 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine is C=C(NC(C)C(C)C)NC(C(=C)C)C1CC2=C=C(C=CC=C2)C1.
What is the InChIKey of 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine?
The InChIKey is NGBMSXRVTOYVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-14(2)16(5)22-17(6)23-21(15(3)4)20-12-18-9-7-8-10-19(11-18)13-20/h7-10,14,16,20-23H,3,6,12-13H2,1-2,4-5H3.
What are the key properties of 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine?
1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine has a molecular weight of 310.49 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine is sourced from PubChem (CID 143356882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).