2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline

C18H29N — CID 107447773

IUPAC2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCC(C)c1ccccc1NC1CCCC(C(C)C)C1
InChIInChI=1S/C18H29N/c1-13(2)15-8-7-9-16(12-15)19-18-11-6-5-10-17(18)14(3)4/h5-6,10-11,13-16,19H,7-9,12H2,1-4H3
InChIKeyHHBFTWMBCIVTFR-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.44
Rot. Bonds4

About 2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline

2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline (PubChem CID 107447773) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
PubChem CID107447773
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCC(C)c1ccccc1NC1CCCC(C(C)C)C1
InChIInChI=1S/C18H29N/c1-13(2)15-8-7-9-16(12-15)19-18-11-6-5-10-17(18)14(3)4/h5-6,10-11,13-16,19H,7-9,12H2,1-4H3
InChIKeyHHBFTWMBCIVTFR-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419203
cis-methyl (1R,3S)-3-(2-propan-2-ylanilino)cyclohexane-1-carboxylate
CID 167456642
2-[(3-propan-2-ylcyclohexyl)amino]benzonitrile
CID 107447813
N-(3-propan-2-ylcyclohexyl)-2-(trifluoromethoxy)aniline
CID 107447794
2-[(dimethylamino)methyl]-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448283
2-nitro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448138
N-(2-propan-2-ylphenyl)piperidin-4-amine
CID 61016047
N-(3-propan-2-ylcyclohexyl)-2-(triazol-1-yl)aniline
CID 107448012
4-(2-propan-2-ylanilino)azepan-2-one
CID 63903139
N-(1-cyclohexylethyl)-2-propan-2-ylaniline
CID 43759431
2,3,4-trifluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447775
2-(2-propan-2-ylanilino)cyclohexan-1-ol
CID 60885259

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline (CID 107447773) is 2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline is CC(C)c1ccccc1NC1CCCC(C(C)C)C1.
What is the InChIKey of 2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline?
The InChIKey is HHBFTWMBCIVTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-13(2)15-8-7-9-16(12-15)19-18-11-6-5-10-17(18)14(3)4/h5-6,10-11,13-16,19H,7-9,12H2,1-4H3.
What are the key properties of 2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline?
2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline has a molecular weight of 259.44 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 107447773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).