N-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine

C23H35N7 — CID 69328061

IUPACN-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine
SMILESC=CCN(CC=C)CCN(CCN(CC=C)CC=C)C(c1ncc[nH]1)c1ncc[nH]1
InChIInChI=1S/C23H35N7/c1-5-13-28(14-6-2)17-19-30(20-18-29(15-7-3)16-8-4)21(22-24-9-10-25-22)23-26-11-12-27-23/h5-12,21H,1-4,13-20H2,(H,24,25)(H,26,27)
InChIKeyRPYYCZMLPUMBQV-UHFFFAOYSA-N
MW409.58 g/mol
LogP2.87
Rot. Bonds17

About N-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine

N-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine (PubChem CID 69328061) has the molecular formula C23H35N7 and a molecular weight of 409.58 g/mol. Its IUPAC name is N-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine
PubChem CID69328061
Molecular FormulaC23H35N7
Molecular Weight409.58 g/mol
Exact Mass409.30
IUPAC NameN-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine
SMILESC=CCN(CC=C)CCN(CCN(CC=C)CC=C)C(c1ncc[nH]1)c1ncc[nH]1
InChIInChI=1S/C23H35N7/c1-5-13-28(14-6-2)17-19-30(20-18-29(15-7-3)16-8-4)21(22-24-9-10-25-22)23-26-11-12-27-23/h5-12,21H,1-4,13-20H2,(H,24,25)(H,26,27)
InChIKeyRPYYCZMLPUMBQV-UHFFFAOYSA-N
XLogP2.87
TPSA67.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine?
The IUPAC name of N-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine (CID 69328061) is N-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for N-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for N-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine is C=CCN(CC=C)CCN(CCN(CC=C)CC=C)C(c1ncc[nH]1)c1ncc[nH]1.
What is the InChIKey of N-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine?
The InChIKey is RPYYCZMLPUMBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N7/c1-5-13-28(14-6-2)17-19-30(20-18-29(15-7-3)16-8-4)21(22-24-9-10-25-22)23-26-11-12-27-23/h5-12,21H,1-4,13-20H2,(H,24,25)(H,26,27).
What are the key properties of N-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine?
N-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine has a molecular weight of 409.58 g/mol, XLogP of 2.87, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(1H-imidazol-2-yl)methyl]-N-[2-[bis(prop-2-enyl)amino]ethyl]-N',N'-bis(prop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 69328061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).