N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine

C24H27N3O2 — CID 15658185

IUPACN-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc2c(ccc3c4ccc(OC)cc4c(NCCCN(C)C)nc23)c1
InChIInChI=1S/C24H27N3O2/c1-27(2)13-5-12-25-24-22-15-18(29-4)8-11-20(22)21-9-6-16-14-17(28-3)7-10-19(16)23(21)26-24/h6-11,14-15H,5,12-13H2,1-4H3,(H,25,26)
InChIKeySBECIMMSUOMQEU-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.92
Rot. Bonds7

About N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine

N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 15658185) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID15658185
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCOc1ccc2c(ccc3c4ccc(OC)cc4c(NCCCN(C)C)nc23)c1
InChIInChI=1S/C24H27N3O2/c1-27(2)13-5-12-25-24-22-15-18(29-4)8-11-20(22)21-9-6-16-14-17(28-3)7-10-19(16)23(21)26-24/h6-11,14-15H,5,12-13H2,1-4H3,(H,25,26)
InChIKeySBECIMMSUOMQEU-UHFFFAOYSA-N
XLogP4.92
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine (CID 15658185) is N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine is COc1ccc2c(ccc3c4ccc(OC)cc4c(NCCCN(C)C)nc23)c1.
What is the InChIKey of N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is SBECIMMSUOMQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-27(2)13-5-12-25-24-22-15-18(29-4)8-11-20(22)21-9-6-16-14-17(28-3)7-10-19(16)23(21)26-24/h6-11,14-15H,5,12-13H2,1-4H3,(H,25,26).
What are the key properties of N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 389.50 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethoxybenzo[c]phenanthridin-6-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 15658185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).