N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide

C24H32N2O2 — CID 137350371

IUPACN'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide
SMILESCC1CC(C=O)=C2Oc3c(cc(C(C)C)cc3C(C)C)C(/N=C/N(C)C)=C2C1
InChIInChI=1S/C24H32N2O2/c1-14(2)17-10-19(15(3)4)24-21(11-17)22(25-13-26(6)7)20-9-16(5)8-18(12-27)23(20)28-24/h10-16H,8-9H2,1-7H3/b25-13+
InChIKeyJBQLXBUECMIISU-DHRITJCHSA-N
MW380.53 g/mol
LogP5.51
Rot. Bonds5

About N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide

N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide (PubChem CID 137350371) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide
PubChem CID137350371
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide
SMILESCC1CC(C=O)=C2Oc3c(cc(C(C)C)cc3C(C)C)C(/N=C/N(C)C)=C2C1
InChIInChI=1S/C24H32N2O2/c1-14(2)17-10-19(15(3)4)24-21(11-17)22(25-13-26(6)7)20-9-16(5)8-18(12-27)23(20)28-24/h10-16H,8-9H2,1-7H3/b25-13+
InChIKeyJBQLXBUECMIISU-DHRITJCHSA-N
XLogP5.51
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methyl-5,7-di(propan-2-yl)-1,2,3,4-tetrahydroanthracene-9,10-dione
CID 102436390
2-[2-(3-fluoropropoxy)-3,5-di(propan-2-yl)phenyl]cyclopentene-1-carbaldehyde
CID 10980503
6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one
CID 154096528
1-[4-(dimethylaminomethylideneamino)-3,5-dimethylphenyl]ethyl acetate
CID 14146433
ethyl 5-[2-(dimethylamino)ethyl]-6-oxo-8,10-di(propan-2-yl)benzo[b][1,4]benzoxazepine-3-carboxylate;hydrochloride
CID 20505159
5-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]-1,3,2-benzodioxaborole
CID 166020299
(1S,2S,3S)-3-[(1S)-1-[2,4,6-tri(propan-2-yl)phenyl]ethoxy]-2-[tri(propan-2-yl)silyloxymethyl]cyclobutane-1-carbaldehyde
CID 134945559
(E)-N-(2-cyclobutyloxy-6-methyl-4-propan-2-ylphenyl)but-2-en-1-imine
CID 134430475
3,3-dimethyl-4,6-di(propan-2-yl)-2H-inden-1-one
CID 79838310
N'-(3,5-diformylthiophen-2-yl)-N,N-dimethylmethanimidamide
CID 12548165
N-[(E)-(6-methoxy-3-methyl-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 153336472
3-(2-methyl-5-propan-2-ylphenyl)oxetane-3-carbaldehyde
CID 116872373

Frequently Asked Questions

What is the IUPAC name of N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide (CID 137350371) is N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide is CC1CC(C=O)=C2Oc3c(cc(C(C)C)cc3C(C)C)C(/N=C/N(C)C)=C2C1.
What is the InChIKey of N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide?
The InChIKey is JBQLXBUECMIISU-DHRITJCHSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-14(2)17-10-19(15(3)4)24-21(11-17)22(25-13-26(6)7)20-9-16(5)8-18(12-27)23(20)28-24/h10-16H,8-9H2,1-7H3/b25-13+.
What are the key properties of N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide?
N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide has a molecular weight of 380.53 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-formyl-2-methyl-5,7-di(propan-2-yl)-2,3-dihydro-1H-xanthen-9-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 137350371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).