N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine

C32H39N2OP — CID 609279

IUPACN-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine
SMILESCC1CCC(C(C)C)C(OP(N(C)c2ccc3ccccc3c2)N(C)c2ccc3ccccc3c2)C1
InChIInChI=1S/C32H39N2OP/c1-23(2)31-19-14-24(3)20-32(31)35-36(33(4)29-17-15-25-10-6-8-12-27(25)21-29)34(5)30-18-16-26-11-7-9-13-28(26)22-30/h6-13,15-18,21-24,31-32H,14,19-20H2,1-5H3
InChIKeyOUCCMMUKKCCLBD-UHFFFAOYSA-N
MW498.65 g/mol
LogP9.27
Rot. Bonds7

About N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine

N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine (PubChem CID 609279) has the molecular formula C32H39N2OP and a molecular weight of 498.65 g/mol. Its IUPAC name is N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine
PubChem CID609279
Molecular FormulaC32H39N2OP
Molecular Weight498.65 g/mol
Exact Mass498.28
IUPAC NameN-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine
SMILESCC1CCC(C(C)C)C(OP(N(C)c2ccc3ccccc3c2)N(C)c2ccc3ccccc3c2)C1
InChIInChI=1S/C32H39N2OP/c1-23(2)31-19-14-24(3)20-32(31)35-36(33(4)29-17-15-25-10-6-8-12-27(25)21-29)34(5)30-18-16-26-11-7-9-13-28(26)22-30/h6-13,15-18,21-24,31-32H,14,19-20H2,1-5H3
InChIKeyOUCCMMUKKCCLBD-UHFFFAOYSA-N
XLogP9.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.65
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten
CID 11135871
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] naphthalene-2,3-dicarboxylate
CID 10390964
(5-methyl-2-propan-2-ylcyclohexyl)oxy-di(propan-2-yl)phosphane
CID 584302
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene
CID 15832960
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate
CID 102076287
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
13-(5-methyl-2-propan-2-ylcyclohexyl)oxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 14545547
methyl 3-[3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylnaphthalen-2-yl]naphthalene-2-carboxylate
CID 58719298
[2-[2-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphanyloxy-3,5-dimethylphenyl]sulfanyl-4,6-dimethylphenyl] bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] phosphite
CID 58640385
3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 80752408
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 3-(3-methylnaphthalen-2-yl)naphthalene-2-carboxylate
CID 59066733
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphanyl]oxyphenyl]propan-2-yl phosphite
CID 58611008

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine?
The IUPAC name of N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine (CID 609279) is N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine.
What is the SMILES notation for N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine?
The canonical SMILES for N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine is CC1CCC(C(C)C)C(OP(N(C)c2ccc3ccccc3c2)N(C)c2ccc3ccccc3c2)C1.
What is the InChIKey of N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine?
The InChIKey is OUCCMMUKKCCLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N2OP/c1-23(2)31-19-14-24(3)20-32(31)35-36(33(4)29-17-15-25-10-6-8-12-27(25)21-29)34(5)30-18-16-26-11-7-9-13-28(26)22-30/h6-13,15-18,21-24,31-32H,14,19-20H2,1-5H3.
What are the key properties of N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine?
N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine has a molecular weight of 498.65 g/mol, XLogP of 9.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[methyl(naphthalen-2-yl)amino]-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphanyl]naphthalen-2-amine is sourced from PubChem (CID 609279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).