4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine

C26H34N2 — CID 155134191

IUPAC4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)Nc1ccc(N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1
InChIInChI=1S/C26H34N2/c1-18(2)27-23-6-10-25(11-7-23)28(3)24-8-4-22(5-9-24)26-15-19-12-20(16-26)14-21(13-19)17-26/h4-11,18-21,27H,12-17H2,1-3H3
InChIKeyQYVDWZRWOHRUFZ-UHFFFAOYSA-N
MW374.57 g/mol
LogP6.74
Rot. Bonds5

About 4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine

4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 155134191) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
PubChem CID155134191
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)Nc1ccc(N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1
InChIInChI=1S/C26H34N2/c1-18(2)27-23-6-10-25(11-7-23)28(3)24-8-4-22(5-9-24)26-15-19-12-20(16-26)14-21(13-19)17-26/h4-11,18-21,27H,12-17H2,1-3H3
InChIKeyQYVDWZRWOHRUFZ-UHFFFAOYSA-N
XLogP6.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[4-(1-adamantyl)anilino]-N-cyclohexylpropanamide
CID 7928871
4-N-[4-(1-adamantyl)phenyl]benzene-1,4-diamine
CID 4764062
1-[4-(1-adamantyl)phenyl]-3-methylthiourea
CID 2881716
methyl 2-[4-[4-(1-adamantyl)-N-methylanilino]anilino]-4-(3-methoxypropanoylamino)benzoate
CID 155133737
4-[1-[4-(N-[4-(1-adamantyl)phenyl]anilino)phenyl]-3-propan-2-ylcyclohexyl]-N,N-diphenylaniline
CID 171416310
N-[4-(1-adamantyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133201667
N-[4-(1-adamantyl)phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 51113796
N-[4-(1-adamantyl)phenyl]-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 133187733
(2R)-2-[4-(1-adamantyl)anilino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 7928876
methyl 4-[[2-[4-(1-adamantyl)-N-methylanilino]phenyl]carbamoyl]benzoate
CID 10601277
4-(1-adamantyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 7938598
N-[4-(1-adamantyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 132947601

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine (CID 155134191) is 4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine is CC(C)Nc1ccc(N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1.
What is the InChIKey of 4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is QYVDWZRWOHRUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2/c1-18(2)27-23-6-10-25(11-7-23)28(3)24-8-4-22(5-9-24)26-15-19-12-20(16-26)14-21(13-19)17-26/h4-11,18-21,27H,12-17H2,1-3H3.
What are the key properties of 4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 374.57 g/mol, XLogP of 6.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(1-adamantyl)phenyl]-4-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 155134191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).