N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline

C19H31N — CID 64501064

IUPACN-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline
SMILESCCC1CCC(Nc2ccc(C(C)C)cc2C(C)C)C1
InChIInChI=1S/C19H31N/c1-6-15-7-9-17(11-15)20-19-10-8-16(13(2)3)12-18(19)14(4)5/h8,10,12-15,17,20H,6-7,9,11H2,1-5H3
InChIKeyAIDSERUITAXXED-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.92
Rot. Bonds5

About N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline

N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline (PubChem CID 64501064) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline
PubChem CID64501064
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline
SMILESCCC1CCC(Nc2ccc(C(C)C)cc2C(C)C)C1
InChIInChI=1S/C19H31N/c1-6-15-7-9-17(11-15)20-19-10-8-16(13(2)3)12-18(19)14(4)5/h8,10,12-15,17,20H,6-7,9,11H2,1-5H3
InChIKeyAIDSERUITAXXED-UHFFFAOYSA-N
XLogP5.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,4-dimethylcyclohexyl)-2,4-di(propan-2-yl)aniline
CID 64732806
2,4-di(propan-2-yl)-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561254
N-[2,4-di(propan-2-yl)phenyl]-1,5-dimethylpyrrolidin-3-amine
CID 81466521
N-(3,3-dimethylcyclopentyl)-2,4-di(propan-2-yl)aniline
CID 80705917
2-chloro-N-(3-ethylcyclopentyl)-4-iodoaniline
CID 64502131
2,5-dibromo-N-(3-ethylcyclopentyl)aniline
CID 64501925
3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259
2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide
CID 60866035
3-bromo-4-[(3-ethylcyclopentyl)amino]benzonitrile
CID 64502119
N-pentan-3-yl-2,4-di(propan-2-yl)aniline
CID 43693580
N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline
CID 64501327
N-cyclohexyl-2,5-di(propan-2-yl)aniline
CID 170213032

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline?
The IUPAC name of N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline (CID 64501064) is N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline.
What is the SMILES notation for N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline?
The canonical SMILES for N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline is CCC1CCC(Nc2ccc(C(C)C)cc2C(C)C)C1.
What is the InChIKey of N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline?
The InChIKey is AIDSERUITAXXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-6-15-7-9-17(11-15)20-19-10-8-16(13(2)3)12-18(19)14(4)5/h8,10,12-15,17,20H,6-7,9,11H2,1-5H3.
What are the key properties of N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline?
N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline has a molecular weight of 273.46 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclopentyl)-2,4-di(propan-2-yl)aniline is sourced from PubChem (CID 64501064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).