N-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine

C16H27N6OP — CID 163184776

IUPACN-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine
SMILESCc1ccc(ON=P(N(C)C)(N(C)C)N(C)Cn2ccnc2)cc1
InChIInChI=1S/C16H27N6OP/c1-15-7-9-16(10-8-15)23-18-24(19(2)3,20(4)5)21(6)14-22-12-11-17-13-22/h7-13H,14H2,1-6H3
InChIKeyOJRIWCDYHWFEHT-UHFFFAOYSA-N
MW350.41 g/mol
LogP3.14
Rot. Bonds7

About N-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine

N-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine (PubChem CID 163184776) has the molecular formula C16H27N6OP and a molecular weight of 350.41 g/mol. Its IUPAC name is N-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine.

Molecular Properties

Compound NameN-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine
PubChem CID163184776
Molecular FormulaC16H27N6OP
Molecular Weight350.41 g/mol
Exact Mass350.20
IUPAC NameN-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine
SMILESCc1ccc(ON=P(N(C)C)(N(C)C)N(C)Cn2ccnc2)cc1
InChIInChI=1S/C16H27N6OP/c1-15-7-9-16(10-8-15)23-18-24(19(2)3,20(4)5)21(6)14-22-12-11-17-13-22/h7-13H,14H2,1-6H3
InChIKeyOJRIWCDYHWFEHT-UHFFFAOYSA-N
XLogP3.14
TPSA49.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine?
The IUPAC name of N-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine (CID 163184776) is N-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine.
What is the SMILES notation for N-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine?
The canonical SMILES for N-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine is Cc1ccc(ON=P(N(C)C)(N(C)C)N(C)Cn2ccnc2)cc1.
What is the InChIKey of N-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine?
The InChIKey is OJRIWCDYHWFEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N6OP/c1-15-7-9-16(10-8-15)23-18-24(19(2)3,20(4)5)21(6)14-22-12-11-17-13-22/h7-13H,14H2,1-6H3.
What are the key properties of N-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine?
N-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine has a molecular weight of 350.41 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(dimethylamino)-(4-methylphenoxy)imino-λ5-phosphanyl]-1-imidazol-1-yl-N-methylmethanamine is sourced from PubChem (CID 163184776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).