N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline

C17H27N — CID 64731999

IUPACN-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NC2CCC(C)C(C)C2)c1
InChIInChI=1S/C17H27N/c1-12(2)15-6-5-7-16(11-15)18-17-9-8-13(3)14(4)10-17/h5-7,11-14,17-18H,8-10H2,1-4H3
InChIKeyUVYMJYMHAUGDTB-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.05
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline

N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline (PubChem CID 64731999) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
PubChem CID64731999
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline
SMILESCC(C)c1cccc(NC2CCC(C)C(C)C2)c1
InChIInChI=1S/C17H27N/c1-12(2)15-6-5-7-16(11-15)18-17-9-8-13(3)14(4)10-17/h5-7,11-14,17-18H,8-10H2,1-4H3
InChIKeyUVYMJYMHAUGDTB-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-propan-2-ylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43768982
N-(3,4-dimethylcyclohexyl)-3-fluoroaniline
CID 64731978
5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 79941422
N-[3-[(3,4-dimethylcyclohexyl)amino]phenyl]methanesulfonamide
CID 64732200
8-methyl-N-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43131742
N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline
CID 64732806
N-(2-methylcyclohexyl)-3-propan-2-ylaniline
CID 43101451
N-(3-methoxycyclobutyl)-3-propan-2-ylaniline
CID 104870345
N-(3-propan-2-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512915
N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 43204585
3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 64734342
N-(3,4-dimethylcyclohexyl)-3-(1,2,4-triazol-4-yl)aniline
CID 64732793

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline (CID 64731999) is N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline is CC(C)c1cccc(NC2CCC(C)C(C)C2)c1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline?
The InChIKey is UVYMJYMHAUGDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-12(2)15-6-5-7-16(11-15)18-17-9-8-13(3)14(4)10-17/h5-7,11-14,17-18H,8-10H2,1-4H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline?
N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline has a molecular weight of 245.41 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-3-propan-2-ylaniline is sourced from PubChem (CID 64731999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).