N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine

C28H31N — CID 59308398

IUPACN-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine
SMILESCc1cccc(N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)C(C)C)c1
InChIInChI=1S/C28H31N/c1-20(2)29(22-11-9-10-21(3)18-22)23-14-15-25-24-12-5-6-13-26(24)28(27(25)19-23)16-7-4-8-17-28/h5-6,9-15,18-20H,4,7-8,16-17H2,1-3H3
InChIKeyYGQXXUGGRQXIGY-UHFFFAOYSA-N
MW381.56 g/mol
LogP7.77
Rot. Bonds3

About N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine

N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine (PubChem CID 59308398) has the molecular formula C28H31N and a molecular weight of 381.56 g/mol. Its IUPAC name is N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine
PubChem CID59308398
Molecular FormulaC28H31N
Molecular Weight381.56 g/mol
Exact Mass381.25
IUPAC NameN-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine
SMILESCc1cccc(N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)C(C)C)c1
InChIInChI=1S/C28H31N/c1-20(2)29(22-11-9-10-21(3)18-22)23-14-15-25-24-12-5-6-13-26(24)28(27(25)19-23)16-7-4-8-17-28/h5-6,9-15,18-20H,4,7-8,16-17H2,1-3H3
InChIKeyYGQXXUGGRQXIGY-UHFFFAOYSA-N
XLogP7.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine
CID 66807476
2',7'-dimethylspiro[cyclotetradecane-1,9'-fluorene]
CID 59318763
N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 166028530
N-methyl-N-(4-phenylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 70891401
2-N-[4-(N-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]anilino)phenyl]-9,9-dimethyl-2-N,7-N,7-N-triphenylfluorene-2,7-diamine;2-N',7-N',7-N'-triphenyl-2-N'-[4-(N-[7'-(N-phenylanilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 159780525
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116304
2'-tert-butylspiro[cyclohexane-1,9'-fluorene]
CID 168798514
7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-[4-(N-[7'-(4-phenyl-N-(4-phenylphenyl)anilino)spiro[cyclohexane-1,9'-fluorene]-2'-yl]anilino)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2',7'-diamine
CID 59025081
N-[3-methyl-4-(2-methylphenyl)phenyl]-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-5,5'-spirobi[benzo[b][1]benzosilole]-3-amine
CID 166025165
2'-fluorospiro[cyclohexane-1,9'-fluorene]
CID 18740734
4-N-[4-[4-[N-[6'-[[4-(N-[4-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenylanilino)phenyl]methyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-4-(N-phenylanilino)anilino]phenyl]phenyl]-1-N,1-N-diphenyl-4-N-spiro[cyclopentane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 166718125
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217209

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine?
The IUPAC name of N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine (CID 59308398) is N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine?
The canonical SMILES for N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine is Cc1cccc(N(c2ccc3c(c2)C2(CCCCC2)c2ccccc2-3)C(C)C)c1.
What is the InChIKey of N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine?
The InChIKey is YGQXXUGGRQXIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N/c1-20(2)29(22-11-9-10-21(3)18-22)23-14-15-25-24-12-5-6-13-26(24)28(27(25)19-23)16-7-4-8-17-28/h5-6,9-15,18-20H,4,7-8,16-17H2,1-3H3.
What are the key properties of N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine?
N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine has a molecular weight of 381.56 g/mol, XLogP of 7.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-N-propan-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 59308398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).