N-(1-cyclohexylethyl)-2-propan-2-ylaniline

C17H27N — CID 43759431

IUPACN-(1-cyclohexylethyl)-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NC(C)C1CCCCC1
InChIInChI=1S/C17H27N/c1-13(2)16-11-7-8-12-17(16)18-14(3)15-9-5-4-6-10-15/h7-8,11-15,18H,4-6,9-10H2,1-3H3
InChIKeySODROHNJMKOBCC-UHFFFAOYSA-N
MW245.41 g/mol
LogP5.19
Rot. Bonds4

About N-(1-cyclohexylethyl)-2-propan-2-ylaniline

N-(1-cyclohexylethyl)-2-propan-2-ylaniline (PubChem CID 43759431) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2-propan-2-ylaniline
PubChem CID43759431
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(1-cyclohexylethyl)-2-propan-2-ylaniline
SMILESCC(C)c1ccccc1NC(C)C1CCCCC1
InChIInChI=1S/C17H27N/c1-13(2)16-11-7-8-12-17(16)18-14(3)15-9-5-4-6-10-15/h7-8,11-15,18H,4-6,9-10H2,1-3H3
InChIKeySODROHNJMKOBCC-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylethyl)-2-propan-2-ylaniline
CID 43192462
N-[1-(1-methylpiperidin-4-yl)ethyl]-2-propan-2-ylaniline
CID 43307621
[2-(1-cyclopentylethylamino)phenyl]methanol
CID 62632467
N-(1-cyclohexylethyl)-2-(difluoromethoxy)aniline
CID 43766730
N-(1-cyclopentylethyl)-2-methylsulfonylaniline
CID 62631561
1-[2-[[(1R)-1-cyclopropylethyl]amino]phenyl]ethane-1,2-diol
CID 173469571
N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 43788848
3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine
CID 113458617
2-propan-2-yl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63419203
2-propan-2-yl-N-(3-propan-2-ylcyclohexyl)aniline
CID 107447773
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2-propan-2-ylaniline?
The IUPAC name of N-(1-cyclohexylethyl)-2-propan-2-ylaniline (CID 43759431) is N-(1-cyclohexylethyl)-2-propan-2-ylaniline.
What is the SMILES notation for N-(1-cyclohexylethyl)-2-propan-2-ylaniline?
The canonical SMILES for N-(1-cyclohexylethyl)-2-propan-2-ylaniline is CC(C)c1ccccc1NC(C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2-propan-2-ylaniline?
The InChIKey is SODROHNJMKOBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)16-11-7-8-12-17(16)18-14(3)15-9-5-4-6-10-15/h7-8,11-15,18H,4-6,9-10H2,1-3H3.
What are the key properties of N-(1-cyclohexylethyl)-2-propan-2-ylaniline?
N-(1-cyclohexylethyl)-2-propan-2-ylaniline has a molecular weight of 245.41 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2-propan-2-ylaniline is sourced from PubChem (CID 43759431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).