N-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine

C18H25N4OP — CID 71037967

IUPACN-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(=Nc1cccc2oc3ccccc3c12)(N(C)C)N(C)C
InChIInChI=1S/C18H25N4OP/c1-20(2)24(21(3)4,22(5)6)19-15-11-9-13-17-18(15)14-10-7-8-12-16(14)23-17/h7-13H,1-6H3
InChIKeyRNCHUKPUUJTLQS-UHFFFAOYSA-N
MW344.40 g/mol
LogP4.85
Rot. Bonds4

About N-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine

N-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine (PubChem CID 71037967) has the molecular formula C18H25N4OP and a molecular weight of 344.40 g/mol. Its IUPAC name is N-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine
PubChem CID71037967
Molecular FormulaC18H25N4OP
Molecular Weight344.40 g/mol
Exact Mass344.18
IUPAC NameN-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine
SMILESCN(C)P(=Nc1cccc2oc3ccccc3c12)(N(C)C)N(C)C
InChIInChI=1S/C18H25N4OP/c1-20(2)24(21(3)4,22(5)6)19-15-11-9-13-17-18(15)14-10-7-8-12-16(14)23-17/h7-13H,1-6H3
InChIKeyRNCHUKPUUJTLQS-UHFFFAOYSA-N
XLogP4.85
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dibenzofuran;hydrate
CID 70610865
N-[dimethylamino-(methylamino)-[8-[[tris(dimethylamino)-λ5-phosphanylidene]amino]naphthalen-1-yl]imino-λ5-phosphanyl]methanamine
CID 118132069
dibenzofuran;dihydrate;dihydrochloride
CID 21327105
CID 88536732
CID 88536732
N-methyldibenzofuran-1-amine
CID 135277683
1-tert-butyldibenzofuran
CID 59078665
4-[dibenzofuran-1-yl(methyl)amino]benzonitrile
CID 170263045
4-dibenzofuran-1-yl-N-methyl-N-phenylaniline
CID 134561321
dibenzofuran;hydrofluoride
CID 158307405
ethane;1-propan-2-yldibenzofuran
CID 142343182
N-(4-dibenzofuran-1-ylphenyl)-N-methyl-4-phenylaniline
CID 167230878
N-dibenzofuran-1-yl-N-phenanthren-4-yldibenzofuran-1-amine
CID 121325395

Frequently Asked Questions

What is the IUPAC name of N-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine?
The IUPAC name of N-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine (CID 71037967) is N-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine.
What is the SMILES notation for N-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine?
The canonical SMILES for N-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine is CN(C)P(=Nc1cccc2oc3ccccc3c12)(N(C)C)N(C)C.
What is the InChIKey of N-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine?
The InChIKey is RNCHUKPUUJTLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N4OP/c1-20(2)24(21(3)4,22(5)6)19-15-11-9-13-17-18(15)14-10-7-8-12-16(14)23-17/h7-13H,1-6H3.
What are the key properties of N-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine?
N-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine has a molecular weight of 344.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dibenzofuran-1-ylimino-bis(dimethylamino)-λ5-phosphanyl]-N-methylmethanamine is sourced from PubChem (CID 71037967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).