3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline

C17H27N — CID 107447823

IUPAC3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCc1cc(C)cc(NC2CCCC(C(C)C)C2)c1
InChIInChI=1S/C17H27N/c1-12(2)15-6-5-7-16(11-15)18-17-9-13(3)8-14(4)10-17/h8-10,12,15-16,18H,5-7,11H2,1-4H3
InChIKeyPYPLAZJGFPPNQE-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.93
Rot. Bonds3

About 3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline

3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline (PubChem CID 107447823) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
PubChem CID107447823
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
SMILESCc1cc(C)cc(NC2CCCC(C(C)C)C2)c1
InChIInChI=1S/C17H27N/c1-12(2)15-6-5-7-16(11-15)18-17-9-13(3)8-14(4)10-17/h8-10,12,15-16,18H,5-7,11H2,1-4H3
InChIKeyPYPLAZJGFPPNQE-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107571665
3,5-difluoro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447829
N-(3-fluoro-5-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 79055016
5-methyl-3-N-(3-methylcyclohexyl)benzene-1,3-diamine
CID 112647121
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087459
3-methyl-4-nitro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448438
N-(3-propan-2-ylcyclohexyl)-2,3-dihydro-1H-inden-5-amine
CID 107447796
4-bromo-2-methyl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447762
3-N-cyclooctyl-5-methylbenzene-1,3-diamine
CID 112646949
N-(3,4-dimethylcyclohexyl)-3,5-dimethylaniline
CID 64731599
N-(3,5-dichlorophenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087825
4-fluoro-N-(3-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 107448399

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline?
The IUPAC name of 3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline (CID 107447823) is 3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline.
What is the SMILES notation for 3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline?
The canonical SMILES for 3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline is Cc1cc(C)cc(NC2CCCC(C(C)C)C2)c1.
What is the InChIKey of 3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline?
The InChIKey is PYPLAZJGFPPNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)15-6-5-7-16(11-15)18-17-9-13(3)8-14(4)10-17/h8-10,12,15-16,18H,5-7,11H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline?
3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline has a molecular weight of 245.41 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-propan-2-ylcyclohexyl)aniline is sourced from PubChem (CID 107447823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).