4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline

C19H29NO — CID 106661973

IUPAC4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H29NO/c1-14-12-19(2,3)13-18(14)20-15-8-10-17(11-9-15)21-16-6-4-5-7-16/h8-11,14,16,18,20H,4-7,12-13H2,1-3H3
InChIKeyIYDSIUREYPAXRG-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.24
Rot. Bonds4

About 4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline

4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline (PubChem CID 106661973) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline.

Molecular Properties

Compound Name4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline
PubChem CID106661973
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H29NO/c1-14-12-19(2,3)13-18(14)20-15-8-10-17(11-9-15)21-16-6-4-5-7-16/h8-11,14,16,18,20H,4-7,12-13H2,1-3H3
InChIKeyIYDSIUREYPAXRG-UHFFFAOYSA-N
XLogP5.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
4-ethyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661610
4-cyclopentyloxy-N-(3-methylcyclopentyl)aniline
CID 64500639
4-cycloheptyloxy-N-methylaniline
CID 82930112
4-N,4-N-diethyl-1-N-(2,4,4-trimethylcyclopentyl)benzene-1,4-diamine
CID 106661857
[4-[(2,4,4-trimethylcyclopentyl)amino]phenyl]urea
CID 106662193
3-iodo-4-methyl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662008
3,4,5-trifluoro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662480
5-[(2,4,4-trimethylcyclopentyl)amino]isoindole-1,3-dione
CID 106661628
4-ethyl-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321095
4-cyclopentyloxy-N-prop-2-ynylaniline
CID 63953479
4-nitro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321658

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline?
The IUPAC name of 4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline (CID 106661973) is 4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline.
What is the SMILES notation for 4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline?
The canonical SMILES for 4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline is CC1CC(C)(C)CC1Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline?
The InChIKey is IYDSIUREYPAXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14-12-19(2,3)13-18(14)20-15-8-10-17(11-9-15)21-16-6-4-5-7-16/h8-11,14,16,18,20H,4-7,12-13H2,1-3H3.
What are the key properties of 4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline?
4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline has a molecular weight of 287.45 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-(2,4,4-trimethylcyclopentyl)aniline is sourced from PubChem (CID 106661973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).